(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H28N4O2 — CID 97128296

IUPAC(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)N(Cc2cnn(C)c2)C2CCCCC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-3-21-13-15(9-17(21)23)18(24)22(16-7-5-4-6-8-16)12-14-10-19-20(2)11-14/h10-11,15-16H,3-9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyKPUOTKOKJYEPGJ-HNNXBMFYSA-N
MW332.45 g/mol
LogP1.95
Rot. Bonds5

About (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97128296) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97128296
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)N(Cc2cnn(C)c2)C2CCCCC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-3-21-13-15(9-17(21)23)18(24)22(16-7-5-4-6-8-16)12-14-10-19-20(2)11-14/h10-11,15-16H,3-9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyKPUOTKOKJYEPGJ-HNNXBMFYSA-N
XLogP1.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
1-[2-Oxo-2-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-2-one
CID 53604942
4-(4-Methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830384
4-(4-Ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830391
4-(4-Methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830392
1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118743817
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744248
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97128296) is (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)N(Cc2cnn(C)c2)C2CCCCC2)CC1=O.
What is the InChIKey of (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KPUOTKOKJYEPGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-21-13-15(9-17(21)23)18(24)22(16-7-5-4-6-8-16)12-14-10-19-20(2)11-14/h10-11,15-16H,3-9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97128296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).