1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

C20H25N5O2 — CID 132970242

IUPAC1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)Nc3cnccc3-n3cccn3)CC2=O)CC1
InChIInChI=1S/C20H25N5O2/c1-14-3-5-16(6-4-14)24-13-15(11-19(24)26)20(27)23-17-12-21-9-7-18(17)25-10-2-8-22-25/h2,7-10,12,14-16H,3-6,11,13H2,1H3,(H,23,27)
InChIKeyDYDIPADCLDVZDJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 132970242) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID132970242
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)Nc3cnccc3-n3cccn3)CC2=O)CC1
InChIInChI=1S/C20H25N5O2/c1-14-3-5-16(6-4-14)24-13-15(11-19(24)26)20(27)23-17-12-21-9-7-18(17)25-10-2-8-22-25/h2,7-10,12,14-16H,3-6,11,13H2,1H3,(H,23,27)
InChIKeyDYDIPADCLDVZDJ-UHFFFAOYSA-N
XLogP2.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119618037
N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 75455550
(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97352252
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 99805784
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 70721590
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (CID 132970242) is 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is CC1CCC(N2CC(C(=O)Nc3cnccc3-n3cccn3)CC2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is DYDIPADCLDVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-3-5-16(6-4-14)24-13-15(11-19(24)26)20(27)23-17-12-21-9-7-18(17)25-10-2-8-22-25/h2,7-10,12,14-16H,3-6,11,13H2,1H3,(H,23,27).
What are the key properties of 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-5-oxo-N-(4-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 132970242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).