2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol

C11H12ClN3O — CID 56963773

IUPAC2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol
SMILESNc1cc(Cl)ccc1-n1nccc1CCO
InChIInChI=1S/C11H12ClN3O/c12-8-1-2-11(10(13)7-8)15-9(4-6-16)3-5-14-15/h1-3,5,7,16H,4,6,13H2
InChIKeyUTMDHOSETVIGCR-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.64
Rot. Bonds3

About 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol

2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol (PubChem CID 56963773) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol
PubChem CID56963773
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol
SMILESNc1cc(Cl)ccc1-n1nccc1CCO
InChIInChI=1S/C11H12ClN3O/c12-8-1-2-11(10(13)7-8)15-9(4-6-16)3-5-14-15/h1-3,5,7,16H,4,6,13H2
InChIKeyUTMDHOSETVIGCR-UHFFFAOYSA-N
XLogP1.64
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol (CID 56963773) is 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol is Nc1cc(Cl)ccc1-n1nccc1CCO.
What is the InChIKey of 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol?
The InChIKey is UTMDHOSETVIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-8-1-2-11(10(13)7-8)15-9(4-6-16)3-5-14-15/h1-3,5,7,16H,4,6,13H2.
What are the key properties of 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol?
2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol has a molecular weight of 237.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 56963773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).