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

C19H16N4O2S — CID 6483972

IUPACN-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13(24)14-5-7-15(8-6-14)21-19(25)16-12-23(10-3-9-20)22-18(16)17-4-2-11-26-17/h2,4-8,11-12H,3,10H2,1H3,(H,21,25)
InChIKeyFUNOXGRYJDAHTP-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.98
Rot. Bonds6

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

N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 6483972) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID6483972
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13(24)14-5-7-15(8-6-14)21-19(25)16-12-23(10-3-9-20)22-18(16)17-4-2-11-26-17/h2,4-8,11-12H,3,10H2,1H3,(H,21,25)
InChIKeyFUNOXGRYJDAHTP-UHFFFAOYSA-N
XLogP3.98
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylphenyl) 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2529492
ethyl 4-[[1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]benzoate
CID 2529442
1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 2489959
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
1-(2-cyanoethyl)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 6483997
N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55784789
1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 2534939
(E)-N-(4-acetylphenyl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enamide
CID 2091036
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
CID 2473217
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 60557678

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 6483972) is N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is FUNOXGRYJDAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13(24)14-5-7-15(8-6-14)21-19(25)16-12-23(10-3-9-20)22-18(16)17-4-2-11-26-17/h2,4-8,11-12H,3,10H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6483972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).