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

C15H12BrN3OS — CID 55858520

IUPACN-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12BrN3OS/c1-9-4-5-10(16)7-11(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)
InChIKeyLLCAZQQUXCPCNE-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.46
Rot. Bonds3

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

N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55858520) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55858520
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12BrN3OS/c1-9-4-5-10(16)7-11(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)
InChIKeyLLCAZQQUXCPCNE-UHFFFAOYSA-N
XLogP4.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90626206
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
N-(6-methyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509104
propan-2-yl 5-carbamoyl-4-methyl-2-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 19509063
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55792015

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55858520) is N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LLCAZQQUXCPCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-9-4-5-10(16)7-11(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-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55858520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).