1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C24H32N4O2 — CID 17432145

IUPAC1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1CCCC(N2CC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)C1C
InChIInChI=1S/C24H32N4O2/c1-17-5-3-6-22(18(17)2)28-16-21(13-23(28)29)24(30)25-14-19-7-9-20(10-8-19)15-27-12-4-11-26-27/h4,7-12,17-18,21-22H,3,5-6,13-16H2,1-2H3,(H,25,30)
InChIKeyLBZCQCOUJVPURL-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 17432145) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID17432145
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1CCCC(N2CC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)C1C
InChIInChI=1S/C24H32N4O2/c1-17-5-3-6-22(18(17)2)28-16-21(13-23(28)29)24(30)25-14-19-7-9-20(10-8-19)15-27-12-4-11-26-27/h4,7-12,17-18,21-22H,3,5-6,13-16H2,1-2H3,(H,25,30)
InChIKeyLBZCQCOUJVPURL-UHFFFAOYSA-N
XLogP3.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-ethylphenyl)-5-oxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60552206
1-(2,3-dimethylcyclohexyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916132
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3R)-N-[4-(diethylcarbamoyl)phenyl]-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 11928640
(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
CID 25388927
(3S)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11928669
(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11928680
N'-[(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 124736422
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
1-(2,3-dimethylcyclohexyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17481851
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 17432145) is 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is CC1CCCC(N2CC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is LBZCQCOUJVPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-5-3-6-22(18(17)2)28-16-21(13-23(28)29)24(30)25-14-19-7-9-20(10-8-19)15-27-12-4-11-26-27/h4,7-12,17-18,21-22H,3,5-6,13-16H2,1-2H3,(H,25,30).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17432145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).