5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide

C16H14ClN3O2S — CID 831669

IUPAC5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H14ClN3O2S/c1-10-14(18-15(21)12-8-9-13(17)23-12)16(22)20(19(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,21)
InChIKeyQORZXGWRKBHGIU-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.45
Rot. Bonds3

About 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide

5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 831669) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID831669
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H14ClN3O2S/c1-10-14(18-15(21)12-8-9-13(17)23-12)16(22)20(19(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,21)
InChIKeyQORZXGWRKBHGIU-UHFFFAOYSA-N
XLogP3.45
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 1246592
5-chloro-N-[2-(methylsulfanyl)phenyl]thiophene-2-carboxamide
CID 1245556
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-3-thiophenecarboxamide
CID 1246813
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24979373
US11691960, Example 3
CID 163289874
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2998962
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylprop-2-enamide
CID 827636

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide (CID 831669) is 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide is Cc1c(NC(=O)c2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is QORZXGWRKBHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-10-14(18-15(21)12-8-9-13(17)23-12)16(22)20(19(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide?
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 831669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).