N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C20H32N4O2 — CID 56914977

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(CC3CCCCC3)C2)n(C)n1
InChIInChI=1S/C20H32N4O2/c1-14(2)9-16-10-18(23(3)22-16)20(26)21-17-11-19(25)24(13-17)12-15-7-5-4-6-8-15/h10,14-15,17H,4-9,11-13H2,1-3H3,(H,21,26)
InChIKeyQAHWGSWDIOGHIN-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 56914977) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID56914977
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(CC3CCCCC3)C2)n(C)n1
InChIInChI=1S/C20H32N4O2/c1-14(2)9-16-10-18(23(3)22-16)20(26)21-17-11-19(25)24(13-17)12-15-7-5-4-6-8-15/h10,14-15,17H,4-9,11-13H2,1-3H3,(H,21,26)
InChIKeyQAHWGSWDIOGHIN-UHFFFAOYSA-N
XLogP2.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

LmCPB-IN-1
CID 145974244
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
(5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
CID 59533260
(5R,8S)-7-[(2S)-2-[[(2S)-2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2-cyclohexylacetyl]amino]-3,3-dimethylbutanoyl]-N-[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
CID 59533334
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 56914977) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC2CC(=O)N(CC3CCCCC3)C2)n(C)n1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is QAHWGSWDIOGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14(2)9-16-10-18(23(3)22-16)20(26)21-17-11-19(25)24(13-17)12-15-7-5-4-6-8-15/h10,14-15,17H,4-9,11-13H2,1-3H3,(H,21,26).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 56914977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).