4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C13H13F3N4O — CID 66481317

IUPAC4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H13F3N4O/c1-7-3-4-8(13(14,15)16)5-10(7)18-12(21)11-9(17)6-20(2)19-11/h3-6H,17H2,1-2H3,(H,18,21)
InChIKeyZLTYCCHSTSIPTD-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.58
Rot. Bonds2

About 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 66481317) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID66481317
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C13H13F3N4O/c1-7-3-4-8(13(14,15)16)5-10(7)18-12(21)11-9(17)6-20(2)19-11/h3-6H,17H2,1-2H3,(H,18,21)
InChIKeyZLTYCCHSTSIPTD-UHFFFAOYSA-N
XLogP2.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 65354301
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 66478729
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 66481317) is 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ZLTYCCHSTSIPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7-3-4-8(13(14,15)16)5-10(7)18-12(21)11-9(17)6-20(2)19-11/h3-6H,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 66481317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).