5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide

C12H10F3N3O — CID 3063855

IUPAC5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(18-17-7)11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeySWDFBDLKPDPYMY-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.99
Rot. Bonds2

About 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 3063855) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID3063855
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C12H10F3N3O/c1-7-5-10(18-17-7)11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeySWDFBDLKPDPYMY-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide (CID 3063855) is 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SWDFBDLKPDPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-5-10(18-17-7)11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3063855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).