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

C18H23N5O2 — CID 97465161

IUPAC(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)nc1
InChIInChI=1S/C18H23N5O2/c1-12(2)9-22-11-15(8-20-22)23-10-14(6-17(23)24)18(25)21-16-5-4-13(3)7-19-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,19,21,25)/t14-/m1/s1
InChIKeyOLZCTVZUNXJTDT-CQSZACIVSA-N
MW341.42 g/mol
LogP2.23
Rot. Bonds5

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

(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97465161) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97465161
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)nc1
InChIInChI=1S/C18H23N5O2/c1-12(2)9-22-11-15(8-20-22)23-10-14(6-17(23)24)18(25)21-16-5-4-13(3)7-19-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,19,21,25)/t14-/m1/s1
InChIKeyOLZCTVZUNXJTDT-CQSZACIVSA-N
XLogP2.23
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 97465111
(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18106758
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810037
(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465094
1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71830396
(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97416313
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
N-(5-chloro-2-pyridinyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497514

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 97465161) is (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)nc1.
What is the InChIKey of (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OLZCTVZUNXJTDT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)9-22-11-15(8-20-22)23-10-14(6-17(23)24)18(25)21-16-5-4-13(3)7-19-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,19,21,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97465161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).