1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol

C13H17N3O — CID 64818779

IUPAC1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1ccnn1CC(O)(CN)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-11-7-8-15-16(11)10-13(17,9-14)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3
InChIKeyBFMJMQGIMGVEJB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds4

About 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol

1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 64818779) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
PubChem CID64818779
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1ccnn1CC(O)(CN)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-11-7-8-15-16(11)10-13(17,9-14)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3
InChIKeyBFMJMQGIMGVEJB-UHFFFAOYSA-N
XLogP1.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol 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 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol (CID 64818779) is 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol is Cc1ccnn1CC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is BFMJMQGIMGVEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11-7-8-15-16(11)10-13(17,9-14)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3.
What are the key properties of 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol?
1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 64818779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).