CAS
9001-15-4 Purity
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9001-15-4 Purity
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1H-Pyrazol-5-amine,3-(4-methylphenyl)-1-phenyl-
CAS
90012-40-1
Catalog Number
ACM90012401
Category
Other Products
Molecular Weight
249.31
Molecular Formula
C16H15N3
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Specification
Synonyms
Enamine_004989, MLS000536200, 549169_ALDRICH, ZINC00404109, IDI1_007576, SMR000155512, ST5320191, 5-Amino-3-(4-methylphenyl)-1-phenylpyrazole, 90012-40-1
IUPAC Name
5-(4-methylphenyl)-2-phenylpyrazol-3-amine
Canonical SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI Key
WMJZITXAXMNGCH-UHFFFAOYSA-N
Boiling Point
460.4ºC at 760mmHg
Melting Point
173-176ºC(lit.)
Flash Point
232.3ºC
Density
1.15g/cm³
Exact Mass
249.12700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
26-36
What is the molecular formula of the compound described in the reference?
The molecular formula is C16H15N3.
What is the molecular weight of the compound?
The molecular weight is 249.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-(4-methylphenyl)-2-phenylpyrazol-3-amine.
What is the InChI Key of the compound?
The InChI Key is WMJZITXAXMNGCH-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3.
What is the CAS number of the compound?
The CAS number is 90012-40-1.
What is the European Community (EC) number of the compound?
The EC number is 623-100-1.
What is the ChEMBL ID of the compound?
The ChEMBL ID is CHEMBL1424170.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.6.
What is the hydroge bond acceptor count of the compound?
The hydrogen bond acceptor count is 2.
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