1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol

C15H20N2O2 — CID 653117

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COCc2ccccc2)n1
InChIInChI=1S/C15H20N2O2/c1-12-8-13(2)17(16-12)9-15(18)11-19-10-14-6-4-3-5-7-14/h3-8,15,18H,9-11H2,1-2H3
InChIKeyLRGADCBSIXOQOP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 653117) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID653117
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COCc2ccccc2)n1
InChIInChI=1S/C15H20N2O2/c1-12-8-13(2)17(16-12)9-15(18)11-19-10-14-6-4-3-5-7-14/h3-8,15,18H,9-11H2,1-2H3
InChIKeyLRGADCBSIXOQOP-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cizolirtine
CID 132412
1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
1-(3,5-dimethylphenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 22331397
(E)-2-(benzyloxy)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)ethanamine
CID 659658
(2-Benzyloxy-ethyl)-(1,3-dimethyl-1H-pyrazol-4-ylmethylene)-amine
CID 3131814
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
1-(4-Tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 18560731
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
1-(((1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)-3-phenoxypropan-2-ol
CID 53363341
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol (CID 653117) is 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol is Cc1cc(C)n(CC(O)COCc2ccccc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is LRGADCBSIXOQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-8-13(2)17(16-12)9-15(18)11-19-10-14-6-4-3-5-7-14/h3-8,15,18H,9-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 653117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).