CAS
958332-63-3 Purity
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958332-63-3 Purity
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1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)-
CAS
95834-35-8
Catalog Number
ACM95834358
Category
Other Products
Molecular Weight
234.26
Molecular Formula
C14H10N4
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Specification
Synonyms
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONITRILE;4-CYANO-1-PHENYL-5-PYRROLOPYRAZOLE
IUPAC Name
1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
Canonical SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C#N)N3C=CC=C3
InChI Key
CLPBUILTGSQXDN-UHFFFAOYSA-N
Boiling Point
440.9ºC at 760 mmHg
Melting Point
81ºC
Flash Point
220.5ºC
Density
1.19g/cm³
Exact Mass
234.09100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The molecular formula is C14H10N4.
When was 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl) created and last modified?
It was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The IUPAC name is 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile.
What is the molecular weight of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The molecular weight is 234.26 g/mol.
What is the InChIKey of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The InChIKey is CLPBUILTGSQXDN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl) have?
It has 0 hydrogen bond donor count.
What is the topological polar surface area of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The topological polar surface area is 46.5 Ų.
How many rotatable bond counts does 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl) have?
It has 2 rotatable bond counts.
Is 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl) a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of 1H-Pyrazole-4-carbonitrile,1-phenyl-5-(1H-pyrrol-1-yl)?
The exact mass is 234.090546336 g/mol.
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