N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H12ClN3OS — CID 55786539

IUPACN-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-9-4-5-11(10(16)7-9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyWZQZGOJHYJDGAS-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.35
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55786539) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55786539
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-9-4-5-11(10(16)7-9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyWZQZGOJHYJDGAS-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509104
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-(2-chloro-4-methylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24592615
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55787026
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55786539) is N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WZQZGOJHYJDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-9-4-5-11(10(16)7-9)17-15(20)13-8-12(18-19-13)14-3-2-6-21-14/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).