1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C7H8F3N3O — CID 141469888

IUPAC1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1c(C(F)(F)F)nn(C)c1C(N)=O
InChIInChI=1S/C7H8F3N3O/c1-3-4(6(11)14)13(2)12-5(3)7(8,9)10/h1-2H3,(H2,11,14)
InChIKeyNKYGBXIXBLTWJS-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.85
Rot. Bonds1

About 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 141469888) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID141469888
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1c(C(F)(F)F)nn(C)c1C(N)=O
InChIInChI=1S/C7H8F3N3O/c1-3-4(6(11)14)13(2)12-5(3)7(8,9)10/h1-2H3,(H2,11,14)
InChIKeyNKYGBXIXBLTWJS-UHFFFAOYSA-N
XLogP0.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 141469888) is 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1c(C(F)(F)F)nn(C)c1C(N)=O.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NKYGBXIXBLTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3-4(6(11)14)13(2)12-5(3)7(8,9)10/h1-2H3,(H2,11,14).
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 141469888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).