(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C18H22N4O2 — CID 124610155

IUPAC(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C18H22N4O2/c1-12-5-3-4-6-14(12)7-13(2)21-18(24)15-8-17(23)22(11-15)16-9-19-20-10-16/h3-6,9-10,13,15H,7-8,11H2,1-2H3,(H,19,20)(H,21,24)/t13-,15-/m1/s1
InChIKeyZHQZCAWLFHZYDT-UKRRQHHQSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds5

About (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 124610155) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID124610155
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C18H22N4O2/c1-12-5-3-4-6-14(12)7-13(2)21-18(24)15-8-17(23)22(11-15)16-9-19-20-10-16/h3-6,9-10,13,15H,7-8,11H2,1-2H3,(H,19,20)(H,21,24)/t13-,15-/m1/s1
InChIKeyZHQZCAWLFHZYDT-UKRRQHHQSA-N
XLogP1.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 136566998
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3S)-5-oxo-N-[(4-phenylsulfanylphenyl)methyl]-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 99612706
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 9352164
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 124610155) is (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1.
What is the InChIKey of (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZHQZCAWLFHZYDT-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-3-4-6-14(12)7-13(2)21-18(24)15-8-17(23)22(11-15)16-9-19-20-10-16/h3-6,9-10,13,15H,7-8,11H2,1-2H3,(H,19,20)(H,21,24)/t13-,15-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124610155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).