CAS
9015-13-8 Purity
N/A
9015-13-8 Purity
N/A
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2-Chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CAS
90153-58-5
Catalog Number
ACM90153585
Category
Other Products
Molecular Weight
201.653380 [g/mol]
Molecular Formula
C8H12ClN3O
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Specification
Synonyms
2-chloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide, 90153-58-5, 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)acetamide, 2-Chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide, ZINC00281818, AC1LFX8Z, AC1Q3TLP, AC1Q408C, CTK5G7463, MolPort-000-161-340, AR-1E0541, BBL022496, STL199568, AKOS000104307, AG-H-69327, MCULE-4633143159, BAS 00850562, ST50241438, EN300-13821, 2-Chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
IUPAC Name
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
InChI Key
FTJPNEYQAUHDTG-UHFFFAOYSA-N
Boiling Point
337.2ºC at 760 mmHg
Flash Point
157.7ºC
Density
1.28g/cm³
Exact Mass
201.06700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-Chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide?
The molecular formula is C8H12ClN3O.
What is the IUPAC name of the compound?
The IUPAC name is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the molecular weight of the compound?
The molecular weight is 201.65 g/mol.
What is the InChI of the compound?
The InChI is InChI=1S/C8H12ClN3O/c1-5-8(10-7(13)4-9)6(2)12(3)11-5/h4H2,1-3H3,(H,10,13).
What is the InChIKey of the compound?
The InChIKey is FTJPNEYQAUHDTG-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=C(C(=NN1C)C)NC(=O)CCl.
What is the CAS number of the compound?
The CAS number is 90153-58-5.
What is the ChEMBL ID of the compound?
The ChEMBL ID is CHEMBL1625209.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.8.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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