1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C20H15ClN4OS — CID 5013344

IUPAC1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4OS/c21-14-5-3-7-16(11-14)25-18(12-17(24-25)19-8-4-10-27-19)20(26)23-13-15-6-1-2-9-22-15/h1-12H,13H2,(H,23,26)
InChIKeyMHAXOGGSZVHZDQ-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.58
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 5013344) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID5013344
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4OS/c21-14-5-3-7-16(11-14)25-18(12-17(24-25)19-8-4-10-27-19)20(26)23-13-15-6-1-2-9-22-15/h1-12H,13H2,(H,23,26)
InChIKeyMHAXOGGSZVHZDQ-UHFFFAOYSA-N
XLogP4.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761882
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
3-(3,4-dimethylphenyl)-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3934182
3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42754740
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
1-(3,4-dichlorophenyl)-3-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42662978
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42662964
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-[4-[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 4285307

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 5013344) is 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is MHAXOGGSZVHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-14-5-3-7-16(11-14)25-18(12-17(24-25)19-8-4-10-27-19)20(26)23-13-15-6-1-2-9-22-15/h1-12H,13H2,(H,23,26).
What are the key properties of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 394.89 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 5013344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).