5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C16H15ClN4OS — CID 46104502

IUPAC5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4OS/c1-2-21-13(14-3-4-15(17)23-14)9-12(20-21)16(22)19-10-11-5-7-18-8-6-11/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyNEPIRRTXVGGMMN-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.61
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 46104502) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID46104502
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4OS/c1-2-21-13(14-3-4-15(17)23-14)9-12(20-21)16(22)19-10-11-5-7-18-8-6-11/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyNEPIRRTXVGGMMN-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 46104506
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104521
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 110336668
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
5-(5-chlorothiophen-2-yl)-1-prop-2-enylpyrazole-3-carboxylic acid
CID 82305239
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 46104502) is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is NEPIRRTXVGGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-2-21-13(14-3-4-15(17)23-14)9-12(20-21)16(22)19-10-11-5-7-18-8-6-11/h3-9H,2,10H2,1H3,(H,19,22).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).