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

C10H10FN3O — CID 117295539

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol
SMILESNc1[nH]ncc1-c1cc(CF)ccc1O
InChIInChI=1S/C10H10FN3O/c11-4-6-1-2-9(15)7(3-6)8-5-13-14-10(8)12/h1-3,5,15H,4H2,(H3,12,13,14)
InChIKeyVOHCKQCQJNZZRR-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.83
Rot. Bonds2

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

2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol (PubChem CID 117295539) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol
PubChem CID117295539
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol
SMILESNc1[nH]ncc1-c1cc(CF)ccc1O
InChIInChI=1S/C10H10FN3O/c11-4-6-1-2-9(15)7(3-6)8-5-13-14-10(8)12/h1-3,5,15H,4H2,(H3,12,13,14)
InChIKeyVOHCKQCQJNZZRR-UHFFFAOYSA-N
XLogP1.83
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol (CID 117295539) is 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol is Nc1[nH]ncc1-c1cc(CF)ccc1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol?
The InChIKey is VOHCKQCQJNZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-4-6-1-2-9(15)7(3-6)8-5-13-14-10(8)12/h1-3,5,15H,4H2,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol?
2-(5-amino-1H-pyrazol-4-yl)-4-(fluoromethyl)phenol has a molecular weight of 207.21 g/mol, XLogP of 1.83, 2 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-(fluoromethyl)phenol is sourced from PubChem (CID 117295539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).