2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide

C15H14F3N3O — CID 71886855

IUPAC2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c1-9-8-12(9)14(22)20-10-2-4-11(5-3-10)21-13(6-7-19-21)15(16,17)18/h2-7,9,12H,8H2,1H3,(H,20,22)
InChIKeyQAMFLWPMEJPUET-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 71886855) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID71886855
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c1-9-8-12(9)14(22)20-10-2-4-11(5-3-10)21-13(6-7-19-21)15(16,17)18/h2-7,9,12H,8H2,1H3,(H,20,22)
InChIKeyQAMFLWPMEJPUET-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide (CID 71886855) is 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is QAMFLWPMEJPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-9-8-12(9)14(22)20-10-2-4-11(5-3-10)21-13(6-7-19-21)15(16,17)18/h2-7,9,12H,8H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71886855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).