3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol

C18H18FN3O — CID 162730354

IUPAC3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1Nc1n[nH]c(-c2ccc(C)cc2)c1F
InChIInChI=1S/C18H18FN3O/c1-3-12-10-14(23)8-9-15(12)20-18-16(19)17(21-22-18)13-6-4-11(2)5-7-13/h4-10,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyNUXWCNZVBKDVHZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.54
Rot. Bonds4

About 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol

3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol (PubChem CID 162730354) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol
PubChem CID162730354
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1Nc1n[nH]c(-c2ccc(C)cc2)c1F
InChIInChI=1S/C18H18FN3O/c1-3-12-10-14(23)8-9-15(12)20-18-16(19)17(21-22-18)13-6-4-11(2)5-7-13/h4-10,23H,3H2,1-2H3,(H2,20,21,22)
InChIKeyNUXWCNZVBKDVHZ-UHFFFAOYSA-N
XLogP4.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]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 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol (CID 162730354) is 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol is CCc1cc(O)ccc1Nc1n[nH]c(-c2ccc(C)cc2)c1F.
What is the InChIKey of 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is NUXWCNZVBKDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-3-12-10-14(23)8-9-15(12)20-18-16(19)17(21-22-18)13-6-4-11(2)5-7-13/h4-10,23H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol?
3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 311.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-fluoro-5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 162730354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).