N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C11H8F3N3O2 — CID 69031845

IUPACN-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(5-15-17-9)10(19)16-6-2-1-3-7(18)4-6/h1-5,18H,(H,15,17)(H,16,19)
InChIKeyCJOVRDQCGANHLK-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.39
Rot. Bonds2

About N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 69031845) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID69031845
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(5-15-17-9)10(19)16-6-2-1-3-7(18)4-6/h1-5,18H,(H,15,17)(H,16,19)
InChIKeyCJOVRDQCGANHLK-UHFFFAOYSA-N
XLogP2.39
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 69031845) is N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(O)c1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CJOVRDQCGANHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)9-8(5-15-17-9)10(19)16-6-2-1-3-7(18)4-6/h1-5,18H,(H,15,17)(H,16,19).
What are the key properties of N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 69031845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).