(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol

C16H21N3O — CID 167749691

IUPAC(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c20-12-16(14-5-2-1-3-6-14)17-9-13-10-18-19(11-13)15-7-4-8-15/h1-3,5-6,10-11,15-17,20H,4,7-9,12H2/t16-/m0/s1
InChIKeyJLCQQJMBWPZQHB-INIZCTEOSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol

(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol (PubChem CID 167749691) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol
PubChem CID167749691
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c20-12-16(14-5-2-1-3-6-14)17-9-13-10-18-19(11-13)15-7-4-8-15/h1-3,5-6,10-11,15-17,20H,4,7-9,12H2/t16-/m0/s1
InChIKeyJLCQQJMBWPZQHB-INIZCTEOSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol 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 (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol (CID 167749691) is (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol is OC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol?
The InChIKey is JLCQQJMBWPZQHB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O/c20-12-16(14-5-2-1-3-6-14)17-9-13-10-18-19(11-13)15-7-4-8-15/h1-3,5-6,10-11,15-17,20H,4,7-9,12H2/t16-/m0/s1.
What are the key properties of (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol?
(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol has a molecular weight of 271.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 167749691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).