(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol

C15H20N2O — CID 99646502

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol
SMILESCc1cc(C)n(C[C@H](O)CCc2ccccc2)n1
InChIInChI=1S/C15H20N2O/c1-12-10-13(2)17(16-12)11-15(18)9-8-14-6-4-3-5-7-14/h3-7,10,15,18H,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyXLKXBZWJWXDQNP-OAHLLOKOSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds5

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol

(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol (PubChem CID 99646502) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol
PubChem CID99646502
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol
SMILESCc1cc(C)n(C[C@H](O)CCc2ccccc2)n1
InChIInChI=1S/C15H20N2O/c1-12-10-13(2)17(16-12)11-15(18)9-8-14-6-4-3-5-7-14/h3-7,10,15,18H,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyXLKXBZWJWXDQNP-OAHLLOKOSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-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

Related Compounds

1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
{3-benzyl-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188687
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethanol
CID 2950529
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
3-[(1,5-Dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45250350

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol (CID 99646502) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol is Cc1cc(C)n(C[C@H](O)CCc2ccccc2)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol?
The InChIKey is XLKXBZWJWXDQNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-10-13(2)17(16-12)11-15(18)9-8-14-6-4-3-5-7-14/h3-7,10,15,18H,8-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 99646502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).