(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide

C15H15ClN4O2 — CID 95149478

IUPAC(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C15H15ClN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21)/t10-/m0/s1
InChIKeyKSXSDUDMCHREDX-JTQLQIEISA-N
MW318.76 g/mol
LogP1.47
Rot. Bonds3

About (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide

(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 95149478) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID95149478
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C15H15ClN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21)/t10-/m0/s1
InChIKeyKSXSDUDMCHREDX-JTQLQIEISA-N
XLogP1.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110901194
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353697
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
[1-(3-chlorophenyl)pyrazol-3-yl]-[(3R,4R)-3-(dimethylamino)-4-methylsulfanylpyrrolidin-1-yl]methanone
CID 97247160
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide (CID 95149478) is (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is KSXSDUDMCHREDX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21)/t10-/m0/s1.
What are the key properties of (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95149478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).