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

C6H6F3N3O — CID 66663098

IUPACN-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-10-5(13)3-2-11-12-4(3)6(7,8)9/h2H,1H3,(H,10,13)(H,11,12)
InChIKeyIKVSNIBWNAPJFM-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.79
Rot. Bonds1

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

N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 66663098) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID66663098
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-10-5(13)3-2-11-12-4(3)6(7,8)9/h2H,1H3,(H,10,13)(H,11,12)
InChIKeyIKVSNIBWNAPJFM-UHFFFAOYSA-N
XLogP0.79
TPSA57.78 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 66663098) is N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IKVSNIBWNAPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-10-5(13)3-2-11-12-4(3)6(7,8)9/h2H,1H3,(H,10,13)(H,11,12).
What are the key properties of N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 66663098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).