5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C10H8F3N3O — CID 137183376

IUPAC5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESNc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)9-4-7(15-16-9)6-2-1-5(14)3-8(6)17/h1-4,17H,14H2,(H,15,16)
InChIKeyFPLXESOXHQGXMS-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.38
Rot. Bonds1

About 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183376) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183376
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESNc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)9-4-7(15-16-9)6-2-1-5(14)3-8(6)17/h1-4,17H,14H2,(H,15,16)
InChIKeyFPLXESOXHQGXMS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
Vrt-532
CID 781239
4-Fluoro-2-(1H-pyrazol-3-yl)phenol
CID 5068606
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
CID 2804885
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183376) is 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1.
What is the InChIKey of 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is FPLXESOXHQGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)9-4-7(15-16-9)6-2-1-5(14)3-8(6)17/h1-4,17H,14H2,(H,15,16).
What are the key properties of 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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 5-amino-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).