1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide

C18H15ClN4OS — CID 55906603

IUPAC1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)s1
InChIInChI=1S/C18H15ClN4OS/c1-3-15-7-12(9-20)18(25-15)22-17(24)16-10-21-23(11(16)2)14-6-4-5-13(19)8-14/h4-8,10H,3H2,1-2H3,(H,22,24)
InChIKeyBTNKQNVOUMOAQS-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.58
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 55906603) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
PubChem CID55906603
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)s1
InChIInChI=1S/C18H15ClN4OS/c1-3-15-7-12(9-20)18(25-15)22-17(24)16-10-21-23(11(16)2)14-6-4-5-13(19)8-14/h4-8,10H,3H2,1-2H3,(H,22,24)
InChIKeyBTNKQNVOUMOAQS-UHFFFAOYSA-N
XLogP4.58
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-2-ethylbutan-1-one
CID 134561020
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 31899138
N-[1-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119566491
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204342

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide (CID 55906603) is 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide is CCc1cc(C#N)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is BTNKQNVOUMOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-3-15-7-12(9-20)18(25-15)22-17(24)16-10-21-23(11(16)2)14-6-4-5-13(19)8-14/h4-8,10H,3H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 370.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55906603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).