1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C11H8F3N3O2 — CID 69031842

IUPAC1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2cccc(O)c2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(10(15)19)5-17(16-9)6-2-1-3-7(18)4-6/h1-5,18H,(H2,15,19)
InChIKeyLKMXMUOAVIZLJS-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 69031842) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID69031842
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2cccc(O)c2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(10(15)19)5-17(16-9)6-2-1-3-7(18)4-6/h1-5,18H,(H2,15,19)
InChIKeyLKMXMUOAVIZLJS-UHFFFAOYSA-N
XLogP1.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 69031842) is 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1cn(-c2cccc(O)c2)nc1C(F)(F)F.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LKMXMUOAVIZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(10(15)19)5-17(16-9)6-2-1-3-7(18)4-6/h1-5,18H,(H2,15,19).
What are the key properties of 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 69031842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).