N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide

C17H16ClN3OS — CID 42878933

IUPACN-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2C)c(C)s1
InChIInChI=1S/C17H16ClN3OS/c1-10-8-14(11(2)23-10)16-9-15(20-21(16)3)17(22)19-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,19,22)
InChIKeyJOMAKSYEEVDILK-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.67
Rot. Bonds3

About N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide

N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 42878933) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
PubChem CID42878933
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC NameN-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2C)c(C)s1
InChIInChI=1S/C17H16ClN3OS/c1-10-8-14(11(2)23-10)16-9-15(20-21(16)3)17(22)19-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,19,22)
InChIKeyJOMAKSYEEVDILK-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
5-(5-chloro-2-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 118130754
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
N-(3-acetamidophenyl)-5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336739
5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110336624
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide (CID 42878933) is N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2C)c(C)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JOMAKSYEEVDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-10-8-14(11(2)23-10)16-9-15(20-21(16)3)17(22)19-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 345.86 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42878933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).