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

C12H11F3N4O — CID 655172

IUPAC4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-19-10(9(16)6-17-19)11(20)18-8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyLTBMAGSCTMUDFQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.27
Rot. Bonds2

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

4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 655172) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
PubChem CID655172
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-19-10(9(16)6-17-19)11(20)18-8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyLTBMAGSCTMUDFQ-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (CID 655172) is 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is LTBMAGSCTMUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-10(9(16)6-17-19)11(20)18-8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of 4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
4-amino-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.27, 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-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 655172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).