1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C14H14F3N3O — CID 35762734

IUPAC1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C(F)(F)F)nn1C
InChIInChI=1S/C14H14F3N3O/c1-9-7-12(19-20(9)2)13(21)18-8-10-5-3-4-6-11(10)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyAXRSJZOAXDPGDW-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.68
Rot. Bonds3

About 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 35762734) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID35762734
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C(F)(F)F)nn1C
InChIInChI=1S/C14H14F3N3O/c1-9-7-12(19-20(9)2)13(21)18-8-10-5-3-4-6-11(10)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyAXRSJZOAXDPGDW-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
3-amino-1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 169110325
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267597
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 35762734) is 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2C(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is AXRSJZOAXDPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9-7-12(19-20(9)2)13(21)18-8-10-5-3-4-6-11(10)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35762734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).