2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol

C17H17ClN4O2 — CID 139505689

IUPAC2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol
SMILESOCC(NC(O)c1cc(-c2ccncc2)n[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12/h1-9,16-17,20,23-24H,10H2,(H,21,22)
InChIKeyDDYCQBLWJIORGJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol

2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol (PubChem CID 139505689) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol
PubChem CID139505689
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol
SMILESOCC(NC(O)c1cc(-c2ccncc2)n[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12/h1-9,16-17,20,23-24H,10H2,(H,21,22)
InChIKeyDDYCQBLWJIORGJ-UHFFFAOYSA-N
XLogP2.44
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol 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 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol (CID 139505689) is 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol is OCC(NC(O)c1cc(-c2ccncc2)n[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol?
The InChIKey is DDYCQBLWJIORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12/h1-9,16-17,20,23-24H,10H2,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol?
2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol has a molecular weight of 344.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[hydroxy-(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 139505689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).