4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

C11H12FN3O — CID 103949035

IUPAC4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2cc(F)ccc2O)n1
InChIInChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-6-9(12)2-3-10(8)16/h2-6,16H,7H2,1H3,(H,13,14)
InChIKeyKSKMYLPKYLNLGG-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.88
Rot. Bonds3

About 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 103949035) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID103949035
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2cc(F)ccc2O)n1
InChIInChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-6-9(12)2-3-10(8)16/h2-6,16H,7H2,1H3,(H,13,14)
InChIKeyKSKMYLPKYLNLGG-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]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

1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807263
2-[(3-Aminopyrazol-1-yl)methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 162645544
2-[di(1H-pyrazol-1-yl)methyl]phenol
CID 12057126
2-(1H-Pyrazol-1-ylmethyl)phenol
CID 15917669
2-({ethyl[2-(1H-pyrazol-1-yl)ethyl]amino}methyl)-4-fluorophenol
CID 56705864
2,6-Difluoro-N-{1-[(2-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}benzamide
CID 59547873
2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 67471082
N-(1-cyclopropylpyrazol-3-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 91254318
N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 141299031
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 103949035) is 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is Cn1ccc(NCc2cc(F)ccc2O)n1.
What is the InChIKey of 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is KSKMYLPKYLNLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-5-4-11(14-15)13-7-8-6-9(12)2-3-10(8)16/h2-6,16H,7H2,1H3,(H,13,14).
What are the key properties of 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 221.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 103949035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).