2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide

C18H20F3N3O — CID 42686510

IUPAC2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC1CCCC1
InChIInChI=1S/C18H20F3N3O/c1-11-16(22-15(25)10-12-4-2-3-5-12)17(24-23-11)13-6-8-14(9-7-13)18(19,20)21/h6-9,12H,2-5,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGLNJGPHSSBAWQK-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.92
Rot. Bonds4

About 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide

2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide (PubChem CID 42686510) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
PubChem CID42686510
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC1CCCC1
InChIInChI=1S/C18H20F3N3O/c1-11-16(22-15(25)10-12-4-2-3-5-12)17(24-23-11)13-6-8-14(9-7-13)18(19,20)21/h6-9,12H,2-5,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGLNJGPHSSBAWQK-UHFFFAOYSA-N
XLogP4.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
CID 42687166
2-cyclobutyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 103706885
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687416
2-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610162
1-[5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-propan-2-ylurea
CID 42874359
2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 42685731
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thian-4-yl)acetamide
CID 80709462
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
CID 138997880
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide (CID 42686510) is 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is GLNJGPHSSBAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-16(22-15(25)10-12-4-2-3-5-12)17(24-23-11)13-6-8-14(9-7-13)18(19,20)21/h6-9,12H,2-5,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide?
2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42686510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).