1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

C15H13ClN4O2S — CID 136515418

IUPAC1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H13ClN4O2S/c1-9-13(14(21)17-6-11-8-23-15(22)18-11)7-20(19-9)12-4-2-10(16)3-5-12/h2-5,7-8H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyKFIODGHBHQWSPQ-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 136515418) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID136515418
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H13ClN4O2S/c1-9-13(14(21)17-6-11-8-23-15(22)18-11)7-20(19-9)12-4-2-10(16)3-5-12/h2-5,7-8H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyKFIODGHBHQWSPQ-UHFFFAOYSA-N
XLogP2.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383388
6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
CID 119352202
1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447036
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
1-(4-chlorophenyl)-3-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535760
5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106380637
(2S)-2-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359973
2-bromo-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 113341004
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 136515418) is 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is KFIODGHBHQWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-9-13(14(21)17-6-11-8-23-15(22)18-11)7-20(19-9)12-4-2-10(16)3-5-12/h2-5,7-8H,6H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136515418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).