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

C11H12FN3O — CID 150135129

IUPAC4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
SMILESC[C@@H](Nc1ccn[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C11H12FN3O/c1-7(14-11-4-5-13-15-11)9-6-8(12)2-3-10(9)16/h2-7,16H,1H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyFCBRBPDBONTMCK-SSDOTTSWSA-N
MW221.24 g/mol
LogP2.43
Rot. Bonds3

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

4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol (PubChem CID 150135129) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
PubChem CID150135129
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol
SMILESC[C@@H](Nc1ccn[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C11H12FN3O/c1-7(14-11-4-5-13-15-11)9-6-8(12)2-3-10(9)16/h2-7,16H,1H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyFCBRBPDBONTMCK-SSDOTTSWSA-N
XLogP2.43
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[(1R)-1-(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
3-[4-fluoro-2-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]propan-1-amine
CID 77297985
3-fluoro-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377179
5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
CID 136598235
4-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136598269
5-fluoro-4-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626069
5-fluoro-4-(1H-pyrazol-5-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626070
5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-1H-pyrazole
CID 141369908
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol (CID 150135129) is 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol is C[C@@H](Nc1ccn[nH]1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol?
The InChIKey is FCBRBPDBONTMCK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(14-11-4-5-13-15-11)9-6-8(12)2-3-10(9)16/h2-7,16H,1H3,(H2,13,14,15)/t7-/m1/s1.
What are the key properties of 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol?
4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol has a molecular weight of 221.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1R)-1-(1H-pyrazol-5-ylamino)ethyl]phenol is sourced from PubChem (CID 150135129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).