N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide

C22H25N3O2 — CID 32906651

IUPACN-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H25N3O2/c1-17(18-9-5-3-6-10-18)24(2)21(26)13-14-22(27)25-16-15-20(23-25)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3/t17-/m1/s1
InChIKeyKZIVKFKZUWIQRP-QGZVFWFLSA-N
MW363.46 g/mol
LogP3.62
Rot. Bonds6

About N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide

N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 32906651) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
PubChem CID32906651
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H25N3O2/c1-17(18-9-5-3-6-10-18)24(2)21(26)13-14-22(27)25-16-15-20(23-25)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3/t17-/m1/s1
InChIKeyKZIVKFKZUWIQRP-QGZVFWFLSA-N
XLogP3.62
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55579267
N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 97020312
N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 55921204
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42900061
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 24640207
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55888780
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
(2S)-4-methylsulfanyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]butanamide
CID 155953207
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347481

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide (CID 32906651) is N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide is C[C@H](c1ccccc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is KZIVKFKZUWIQRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(18-9-5-3-6-10-18)24(2)21(26)13-14-22(27)25-16-15-20(23-25)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide?
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.62, 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-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 32906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).