N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

C19H13ClN4O3S — CID 52554967

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C19H13ClN4O3S/c1-11(25)15-10-28-19(21-15)22-18(26)14-9-16(17-6-3-7-27-17)24(23-14)13-5-2-4-12(20)8-13/h2-10H,1H3,(H,21,22,26)
InChIKeyDEEPFTYASSYUEV-UHFFFAOYSA-N
MW412.86 g/mol
LogP4.70
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 52554967) has the molecular formula C19H13ClN4O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID52554967
Molecular FormulaC19H13ClN4O3S
Molecular Weight412.86 g/mol
Exact Mass412.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C19H13ClN4O3S/c1-11(25)15-10-28-19(21-15)22-18(26)14-9-16(17-6-3-7-27-17)24(23-14)13-5-2-4-12(20)8-13/h2-10H,1H3,(H,21,22,26)
InChIKeyDEEPFTYASSYUEV-UHFFFAOYSA-N
XLogP4.70
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55519428
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514272
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (CID 52554967) is N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is CC(=O)c1csc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is DEEPFTYASSYUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3S/c1-11(25)15-10-28-19(21-15)22-18(26)14-9-16(17-6-3-7-27-17)24(23-14)13-5-2-4-12(20)8-13/h2-10H,1H3,(H,21,22,26).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 412.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 52554967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).