N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C17H13ClN4OS — CID 6483969

IUPACN-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccs2)n1
InChIInChI=1S/C17H13ClN4OS/c18-12-4-6-13(7-5-12)20-17(23)14-11-22(9-2-8-19)21-16(14)15-3-1-10-24-15/h1,3-7,10-11H,2,9H2,(H,20,23)
InChIKeyXZKARHXQYYLILB-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.43
Rot. Bonds5

About N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 6483969) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID6483969
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC NameN-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccs2)n1
InChIInChI=1S/C17H13ClN4OS/c18-12-4-6-13(7-5-12)20-17(23)14-11-22(9-2-8-19)21-16(14)15-3-1-10-24-15/h1,3-7,10-11H,2,9H2,(H,20,23)
InChIKeyXZKARHXQYYLILB-UHFFFAOYSA-N
XLogP4.43
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-pyrazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376843
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide
CID 2810624
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2529484
1-(2-cyanoethyl)-N-(4-nitrophenyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2967823
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 155545798

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 6483969) is N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is XZKARHXQYYLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c18-12-4-6-13(7-5-12)20-17(23)14-11-22(9-2-8-19)21-16(14)15-3-1-10-24-15/h1,3-7,10-11H,2,9H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 356.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6483969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).