4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one

C24H34N4O — CID 45177785

IUPAC4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CNCc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1=O
InChIInChI=1S/C24H34N4O/c1-3-28-16-18(13-23(28)29)14-25-15-22-17-27(2)26-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,17-19,25H,3-8,13-16H2,1-2H3
InChIKeyKIWUQJIWVDHJMH-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.09
Rot. Bonds7

About 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one

4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one (PubChem CID 45177785) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
PubChem CID45177785
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(CNCc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1=O
InChIInChI=1S/C24H34N4O/c1-3-28-16-18(13-23(28)29)14-25-15-22-17-27(2)26-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,17-19,25H,3-8,13-16H2,1-2H3
InChIKeyKIWUQJIWVDHJMH-UHFFFAOYSA-N
XLogP4.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one 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

3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
CID 95868809
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45241479
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45182675
(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25288969
3-[(4-cyclohexylphenyl)methyl]-1-ethylimidazolidine-2,4-dione
CID 166228514
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
CID 1474502
4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961953
3-cyclohexyloxy-N-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 119107855
N-[[3-(4-bromophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79484462

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one (CID 45177785) is 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one is CCN1CC(CNCc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1=O.
What is the InChIKey of 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one?
The InChIKey is KIWUQJIWVDHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-3-28-16-18(13-23(28)29)14-25-15-22-17-27(2)26-24(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,17-19,25H,3-8,13-16H2,1-2H3.
What are the key properties of 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one?
4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one has a molecular weight of 394.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 45177785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).