5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C6H6F3N3O — CID 126992732

IUPAC5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C6H6F3N3O/c1-2-3(5(10)13)4(12-11-2)6(7,8)9/h1H3,(H2,10,13)(H,11,12)
InChIKeyLUMOVFCYHDUFSJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.84
Rot. Bonds1

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

5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 126992732) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID126992732
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C6H6F3N3O/c1-2-3(5(10)13)4(12-11-2)6(7,8)9/h1H3,(H2,10,13)(H,11,12)
InChIKeyLUMOVFCYHDUFSJ-UHFFFAOYSA-N
XLogP0.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 126992732) is 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LUMOVFCYHDUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-2-3(5(10)13)4(12-11-2)6(7,8)9/h1H3,(H2,10,13)(H,11,12).
What are the key properties of 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).