N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C26H31N3O2 — CID 55588724

IUPACN-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H31N3O2/c1-28(23-14-12-21(13-15-23)20-8-4-2-5-9-20)25(30)16-17-26(31)29-19-18-24(27-29)22-10-6-3-7-11-22/h2-11,21,23H,12-19H2,1H3
InChIKeyWUXMIBLNQXVWGX-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.59
Rot. Bonds6

About N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 55588724) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID55588724
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H31N3O2/c1-28(23-14-12-21(13-15-23)20-8-4-2-5-9-20)25(30)16-17-26(31)29-19-18-24(27-29)22-10-6-3-7-11-22/h2-11,21,23H,12-19H2,1H3
InChIKeyWUXMIBLNQXVWGX-UHFFFAOYSA-N
XLogP4.59
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906651
N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 55921204
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55440043
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55579267
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
1-(4-benzoylpiperidin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 18143350
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55677294
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55717934
N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
CID 55588872
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55888780

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 55588724) is N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is CN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is WUXMIBLNQXVWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-28(23-14-12-21(13-15-23)20-8-4-2-5-9-20)25(30)16-17-26(31)29-19-18-24(27-29)22-10-6-3-7-11-22/h2-11,21,23H,12-19H2,1H3.
What are the key properties of N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 417.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 55588724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).