2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol

C14H18FN3O — CID 154976028

IUPAC2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol
SMILESCCc1cc(NC(CC)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C14H18FN3O/c1-3-10-8-14(18-17-10)16-12(4-2)11-7-9(15)5-6-13(11)19/h5-8,12,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyWHUIWGQVJZYIGE-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.38
Rot. Bonds5

About 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol

2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol (PubChem CID 154976028) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol
PubChem CID154976028
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol
SMILESCCc1cc(NC(CC)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C14H18FN3O/c1-3-10-8-14(18-17-10)16-12(4-2)11-7-9(15)5-6-13(11)19/h5-8,12,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyWHUIWGQVJZYIGE-UHFFFAOYSA-N
XLogP3.38
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol 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

2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol
CID 164613475
2-[6-(1-Ethyl-pyrrolidin-2-ylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 136056102
2-(6-(Methylamino)pyridazin-3-yl)phenol
CID 136145557
5-(2-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 54594813
2-{[4-(3-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]methyl}phenol
CID 49667936
2-(5-amino-1H-pyrazol-3-yl)phenol
CID 135633799
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-hydroxyphenyl)methyl]urea
CID 53544990
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 71854571
1-(5-tert-butyl-1H-pyrazol-3-yl)-2-[(2-fluoro-6-methoxyphenyl)methyl]guanidine
CID 67386746

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol?
The IUPAC name of 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol (CID 154976028) is 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol is CCc1cc(NC(CC)c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol?
The InChIKey is WHUIWGQVJZYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-10-8-14(18-17-10)16-12(4-2)11-7-9(15)5-6-13(11)19/h5-8,12,19H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol?
2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol has a molecular weight of 263.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]propyl]-4-fluorophenol is sourced from PubChem (CID 154976028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).