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

C9H9N3O — CID 135633799

IUPAC2-(3-amino-1H-pyrazol-5-yl)phenol
SMILESNc1cc(-c2ccccc2O)[nH]n1
InChIInChI=1S/C9H9N3O/c10-9-5-7(11-12-9)6-3-1-2-4-8(6)13/h1-5,13H,(H3,10,11,12)
InChIKeyWPGFRHKUNZLFDA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.36
Rot. Bonds1

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

2-(3-amino-1H-pyrazol-5-yl)phenol (PubChem CID 135633799) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)phenol
PubChem CID135633799
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)phenol
SMILESNc1cc(-c2ccccc2O)[nH]n1
InChIInChI=1S/C9H9N3O/c10-9-5-7(11-12-9)6-3-1-2-4-8(6)13/h1-5,13H,(H3,10,11,12)
InChIKeyWPGFRHKUNZLFDA-UHFFFAOYSA-N
XLogP1.36
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
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
3-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3240675
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)phenol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)phenol (CID 135633799) is 2-(3-amino-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)phenol is Nc1cc(-c2ccccc2O)[nH]n1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)phenol?
The InChIKey is WPGFRHKUNZLFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9-5-7(11-12-9)6-3-1-2-4-8(6)13/h1-5,13H,(H3,10,11,12).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)phenol?
2-(3-amino-1H-pyrazol-5-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 135633799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).