2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol

C10H8F3N3O — CID 117359096

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
SMILESNc1[nH]ncc1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-1-2-8(17)6(3-5)7-4-15-16-9(7)14/h1-4,17H,(H3,14,15,16)
InChIKeyIJHBQWBZHAGAGG-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.38
Rot. Bonds1

About 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol

2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol (PubChem CID 117359096) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
PubChem CID117359096
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
SMILESNc1[nH]ncc1-c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)5-1-2-8(17)6(3-5)7-4-15-16-9(7)14/h1-4,17H,(H3,14,15,16)
InChIKeyIJHBQWBZHAGAGG-UHFFFAOYSA-N
XLogP2.38
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
CID 117359093
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
CID 117311058
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
2-amino-4-[2-hydroxy-5-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 146507943
5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
CID 117341582
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol
CID 117477121
3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
CID 117298182
methyl 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoate
CID 117375287
4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117395726

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol (CID 117359096) is 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol is Nc1[nH]ncc1-c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol?
The InChIKey is IJHBQWBZHAGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)5-1-2-8(17)6(3-5)7-4-15-16-9(7)14/h1-4,17H,(H3,14,15,16).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol?
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol has a molecular weight of 243.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 117359096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).