2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol

C12H15N3O — CID 83887534

IUPAC2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
SMILESCc1cccc(-n2cc(C(O)CN)cn2)c1
InChIInChI=1S/C12H15N3O/c1-9-3-2-4-11(5-9)15-8-10(7-14-15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3
InChIKeyQRNJIVDFQRHJNW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds3

About 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol

2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol (PubChem CID 83887534) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
PubChem CID83887534
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
SMILESCc1cccc(-n2cc(C(O)CN)cn2)c1
InChIInChI=1S/C12H15N3O/c1-9-3-2-4-11(5-9)15-8-10(7-14-15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3
InChIKeyQRNJIVDFQRHJNW-UHFFFAOYSA-N
XLogP1.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]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-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol (CID 83887534) is 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol is Cc1cccc(-n2cc(C(O)CN)cn2)c1.
What is the InChIKey of 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol?
The InChIKey is QRNJIVDFQRHJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-2-4-11(5-9)15-8-10(7-14-15)12(16)6-13/h2-5,7-8,12,16H,6,13H2,1H3.
What are the key properties of 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol?
2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 83887534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).