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

C20H24F3N3O2 — CID 43047747

IUPAC4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-8-4-5-9-17(15)24-18(27)10-11-19(28)26-13-12-16(25-26)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,24,27)
InChIKeyNWMRWGFSEOWCAN-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.64
Rot. Bonds5

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

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 43047747) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID43047747
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-8-4-5-9-17(15)24-18(27)10-11-19(28)26-13-12-16(25-26)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,24,27)
InChIKeyNWMRWGFSEOWCAN-UHFFFAOYSA-N
XLogP3.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.64
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
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
CID 30656166
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-[2-(2-methylphenyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55888780
N-[4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55538469
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
1-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 97247080
1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55717934

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide (CID 43047747) is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is NWMRWGFSEOWCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)15-8-4-5-9-17(15)24-18(27)10-11-19(28)26-13-12-16(25-26)14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,24,27).
What are the key properties of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 395.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 43047747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).