4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide

C20H26FN3O — CID 46963790

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2(c3ccccc3F)CCCC2)n1
InChIInChI=1S/C20H26FN3O/c1-15-14-16(2)24(23-15)13-7-10-19(25)22-20(11-5-6-12-20)17-8-3-4-9-18(17)21/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,25)
InChIKeyUHQOUXZJVGXEFF-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.00
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide (PubChem CID 46963790) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide
PubChem CID46963790
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2(c3ccccc3F)CCCC2)n1
InChIInChI=1S/C20H26FN3O/c1-15-14-16(2)24(23-15)13-7-10-19(25)22-20(11-5-6-12-20)17-8-3-4-9-18(17)21/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,25)
InChIKeyUHQOUXZJVGXEFF-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2-fluorophenyl)cyclopentyl]amino]-5-oxopentanoic acid
CID 110442663
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide (CID 46963790) is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide is Cc1cc(C)n(CCCC(=O)NC2(c3ccccc3F)CCCC2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide?
The InChIKey is UHQOUXZJVGXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15-14-16(2)24(23-15)13-7-10-19(25)22-20(11-5-6-12-20)17-8-3-4-9-18(17)21/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide has a molecular weight of 343.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide is sourced from PubChem (CID 46963790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).