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

C11H9F3N4O — CID 89463971

IUPAC1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(N)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-4-2-1-3-6(8)9-7(10(15)19)5-18(16)17-9/h1-5H,16H2,(H2,15,19)
InChIKeyALRFUKNWIRUACA-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.38
Rot. Bonds2

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

1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 89463971) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID89463971
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cn(N)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-4-2-1-3-6(8)9-7(10(15)19)5-18(16)17-9/h1-5H,16H2,(H2,15,19)
InChIKeyALRFUKNWIRUACA-UHFFFAOYSA-N
XLogP1.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 89463971) is 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is NC(=O)c1cn(N)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ALRFUKNWIRUACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)8-4-2-1-3-6(8)9-7(10(15)19)5-18(16)17-9/h1-5H,16H2,(H2,15,19).
What are the key properties of 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 89463971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).