5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

C15H13ClN4OS — CID 31908021

IUPAC5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)s3)cn2)n1
InChIInChI=1S/C15H13ClN4OS/c1-9-7-10(2)20(19-9)14-6-3-11(8-17-14)18-15(21)12-4-5-13(16)22-12/h3-8H,1-2H3,(H,18,21)
InChIKeyXQVPSGMCUWXXOW-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.85
Rot. Bonds3

About 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide

5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 31908021) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID31908021
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)s3)cn2)n1
InChIInChI=1S/C15H13ClN4OS/c1-9-7-10(2)20(19-9)14-6-3-11(8-17-14)18-15(21)12-4-5-13(16)22-12/h3-8H,1-2H3,(H,18,21)
InChIKeyXQVPSGMCUWXXOW-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46431658
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide (CID 31908021) is 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)s3)cn2)n1.
What is the InChIKey of 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is XQVPSGMCUWXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-7-10(2)20(19-9)14-6-3-11(8-17-14)18-15(21)12-4-5-13(16)22-12/h3-8H,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide?
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 332.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 31908021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).