1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol

C16H23N3O — CID 116695981

IUPAC1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
SMILESCc1nn(CCC(O)(CN)c2ccccc2)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)10-9-16(20,11-17)15-7-5-4-6-8-15/h4-8,20H,9-11,17H2,1-3H3
InChIKeyGRSBMNUSTSFBJQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.04
Rot. Bonds5

About 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol

1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol (PubChem CID 116695981) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
PubChem CID116695981
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
SMILESCc1nn(CCC(O)(CN)c2ccccc2)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)10-9-16(20,11-17)15-7-5-4-6-8-15/h4-8,20H,9-11,17H2,1-3H3
InChIKeyGRSBMNUSTSFBJQ-UHFFFAOYSA-N
XLogP2.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-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-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol (CID 116695981) is 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol is Cc1nn(CCC(O)(CN)c2ccccc2)c(C)c1C.
What is the InChIKey of 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol?
The InChIKey is GRSBMNUSTSFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)10-9-16(20,11-17)15-7-5-4-6-8-15/h4-8,20H,9-11,17H2,1-3H3.
What are the key properties of 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol?
1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 116695981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).