1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide

C6H6F3N3O — CID 67379170

IUPAC1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C6H6F3N3O/c1-12-4(5(10)13)3(2-11-12)6(7,8)9/h2H,1H3,(H2,10,13)
InChIKeyUADXEHOBVBKIGD-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.54
Rot. Bonds1

About 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 67379170) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID67379170
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C6H6F3N3O/c1-12-4(5(10)13)3(2-11-12)6(7,8)9/h2H,1H3,(H2,10,13)
InChIKeyUADXEHOBVBKIGD-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 67379170) is 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ncc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UADXEHOBVBKIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12-4(5(10)13)3(2-11-12)6(7,8)9/h2H,1H3,(H2,10,13).
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 67379170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).