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

C11H9F3N4O — CID 1263586

IUPAC5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
InChIKeySJRSJUWOLAGGDE-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.26
Rot. Bonds2

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

5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 1263586) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID1263586
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
InChIKeySJRSJUWOLAGGDE-UHFFFAOYSA-N
XLogP2.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 1263586) is 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SJRSJUWOLAGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18).
What are the key properties of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 1263586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).