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

C19H25N3O2 — CID 18108648

IUPACN-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1
InChIInChI=1S/C19H25N3O2/c23-18(20-16-9-5-2-6-10-16)11-12-19(24)22-14-13-17(21-22)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,23)
InChIKeySXLVGOYBYCJDRF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds5

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

N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 18108648) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID18108648
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1
InChIInChI=1S/C19H25N3O2/c23-18(20-16-9-5-2-6-10-16)11-12-19(24)22-14-13-17(21-22)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,23)
InChIKeySXLVGOYBYCJDRF-UHFFFAOYSA-N
XLogP2.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
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-(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-(5-piperidin-1-ylisoquinolin-8-yl)butanamide
CID 26075000
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 30236494
N-[(3-chlorophenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 17445323
N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55376217

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 18108648) is N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is SXLVGOYBYCJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(20-16-9-5-2-6-10-16)11-12-19(24)22-14-13-17(21-22)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,23).
What are the key properties of N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 18108648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).