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

C18H23N3O2 — CID 18106168

IUPACN-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCC1
InChIInChI=1S/C18H23N3O2/c22-17(19-15-8-4-5-9-15)10-11-18(23)21-13-12-16(20-21)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,22)
InChIKeyHHAGAJZRTQSNGK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.46
Rot. Bonds5

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

N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 18106168) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID18106168
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCC1
InChIInChI=1S/C18H23N3O2/c22-17(19-15-8-4-5-9-15)10-11-18(23)21-13-12-16(20-21)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,22)
InChIKeyHHAGAJZRTQSNGK-UHFFFAOYSA-N
XLogP2.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43047747
N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
CID 30656166
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 11708855
N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
N-butyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51161883
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
1-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 97247080
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 30236494
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 55782526
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 18106168) is N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is HHAGAJZRTQSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(19-15-8-4-5-9-15)10-11-18(23)21-13-12-16(20-21)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,22).
What are the key properties of N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 18106168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).