(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C16H26N4O2 — CID 97465114

IUPAC(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-5-6-17-16(22)13-7-15(21)20(10-13)14-8-18-19(11-14)9-12(2)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyLSZSMFWTQKUUFG-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.81
Rot. Bonds7

About (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97465114) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97465114
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-5-6-17-16(22)13-7-15(21)20(10-13)14-8-18-19(11-14)9-12(2)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyLSZSMFWTQKUUFG-CYBMUJFWSA-N
XLogP1.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 97465111
(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97465161
(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465094
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 97465114) is (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1.
What is the InChIKey of (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LSZSMFWTQKUUFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-5-6-17-16(22)13-7-15(21)20(10-13)14-8-18-19(11-14)9-12(2)3/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,22)/t13-/m1/s1.
What are the key properties of (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97465114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).