4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol

C11H12FN3O — CID 142800960

IUPAC4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
SMILESOc1ccc(F)cc1CCNc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c12-9-1-2-10(16)8(7-9)3-5-13-11-4-6-14-15-11/h1-2,4,6-7,16H,3,5H2,(H2,13,14,15)
InChIKeyQXQMWBPCBOPECJ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.91
Rot. Bonds4

About 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol

4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol (PubChem CID 142800960) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
PubChem CID142800960
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
SMILESOc1ccc(F)cc1CCNc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c12-9-1-2-10(16)8(7-9)3-5-13-11-4-6-14-15-11/h1-2,4,6-7,16H,3,5H2,(H2,13,14,15)
InChIKeyQXQMWBPCBOPECJ-UHFFFAOYSA-N
XLogP1.91
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]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

5-[(2-hydroxy-3,5-diiodobenzyl)amino]-1H-pyrazole-4-carbonitrile
CID 5301532
2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 67471082
4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 150135129
4-Fluoro-2-[[methyl-(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 151697193
2-[Cyclobutyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976023
2-[cyclobutyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976024
2-[[(2-Ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976025
2-[[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976026
2-[1-[(2-Ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976027
2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol
CID 154976028
2-[Cyclopropyl-[(2-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976030
2-[cyclopropyl-[(5-ethyl-1H-pyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 154976031

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol (CID 142800960) is 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol is Oc1ccc(F)cc1CCNc1ccn[nH]1.
What is the InChIKey of 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol?
The InChIKey is QXQMWBPCBOPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-1-2-10(16)8(7-9)3-5-13-11-4-6-14-15-11/h1-2,4,6-7,16H,3,5H2,(H2,13,14,15).
What are the key properties of 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol?
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol has a molecular weight of 221.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol is sourced from PubChem (CID 142800960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).