1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C10H14F3N3O — CID 151575935

IUPAC1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)Cc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H14F3N3O/c1-5(2)4-6-7(9(14)17)8(10(11,12)13)15-16(6)3/h5H,4H2,1-3H3,(H2,14,17)
InChIKeyQFLHVPSWXTWCKC-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 151575935) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID151575935
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)Cc1c(C(N)=O)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H14F3N3O/c1-5(2)4-6-7(9(14)17)8(10(11,12)13)15-16(6)3/h5H,4H2,1-3H3,(H2,14,17)
InChIKeyQFLHVPSWXTWCKC-UHFFFAOYSA-N
XLogP1.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 151575935) is 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)Cc1c(C(N)=O)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QFLHVPSWXTWCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5(2)4-6-7(9(14)17)8(10(11,12)13)15-16(6)3/h5H,4H2,1-3H3,(H2,14,17).
What are the key properties of 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 151575935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).