(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H19ClN4O2 — CID 99779309

IUPAC(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CC(=O)N(C)C2)c1C
InChIInChI=1S/C17H19ClN4O2/c1-10-11(2)20-22(14-6-4-13(18)5-7-14)16(10)19-17(24)12-8-15(23)21(3)9-12/h4-7,12H,8-9H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyHOWNXKSVNSRTAH-LBPRGKRZSA-N
MW346.82 g/mol
LogP2.56
Rot. Bonds3

About (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 99779309) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID99779309
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CC(=O)N(C)C2)c1C
InChIInChI=1S/C17H19ClN4O2/c1-10-11(2)20-22(14-6-4-13(18)5-7-14)16(10)19-17(24)12-8-15(23)21(3)9-12/h4-7,12H,8-9H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyHOWNXKSVNSRTAH-LBPRGKRZSA-N
XLogP2.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44892829
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
2-(4-chlorophenyl)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 120977684

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 99779309) is (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)[C@H]2CC(=O)N(C)C2)c1C.
What is the InChIKey of (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOWNXKSVNSRTAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-10-11(2)20-22(14-6-4-13(18)5-7-14)16(10)19-17(24)12-8-15(23)21(3)9-12/h4-7,12H,8-9H2,1-3H3,(H,19,24)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-chlorophenyl)-4,5-dimethylpyrazol-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99779309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).