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

C17H18F3N3O — CID 42686500

IUPACN-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCCC1
InChIInChI=1S/C17H18F3N3O/c1-10-14(21-16(24)12-4-2-3-5-12)15(23-22-10)11-6-8-13(9-7-11)17(18,19)20/h6-9,12H,2-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyGSAXQGDHAINJQL-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.53
Rot. Bonds3

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

N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 42686500) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID42686500
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCCC1
InChIInChI=1S/C17H18F3N3O/c1-10-14(21-16(24)12-4-2-3-5-12)15(23-22-10)11-6-8-13(9-7-11)17(18,19)20/h6-9,12H,2-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyGSAXQGDHAINJQL-UHFFFAOYSA-N
XLogP4.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686254
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
CID 42686255
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686272
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
CID 42686302
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686308
3,3-Dimethyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686494
3-Methyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686503
N-{5-Propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686560
2-Methyl-N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686566
methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
CID 42686579
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide
CID 42686600

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 42686500) is N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCCC1.
What is the InChIKey of N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is GSAXQGDHAINJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10-14(21-16(24)12-4-2-3-5-12)15(23-22-10)11-6-8-13(9-7-11)17(18,19)20/h6-9,12H,2-5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42686500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).