(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

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Related Compounds

(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
CID 103527298
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364

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).