1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol

C16H22N2O — CID 62732173

IUPAC1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CCc2ccccc2)c1C
InChIInChI=1S/C16H22N2O/c1-4-15(19)16-12(2)17-18(13(16)3)11-10-14-8-6-5-7-9-14/h5-9,15,19H,4,10-11H2,1-3H3
InChIKeyFUQXDFMFYRAOKU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.19
Rot. Bonds5

About 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol

1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 62732173) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
PubChem CID62732173
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CCc2ccccc2)c1C
InChIInChI=1S/C16H22N2O/c1-4-15(19)16-12(2)17-18(13(16)3)11-10-14-8-6-5-7-9-14/h5-9,15,19H,4,10-11H2,1-3H3
InChIKeyFUQXDFMFYRAOKU-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79227689
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 82871315
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 107309902
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 114349039
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
CID 65165219
1-[1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 79709265

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol (CID 62732173) is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(CCc2ccccc2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is FUQXDFMFYRAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(19)16-12(2)17-18(13(16)3)11-10-14-8-6-5-7-9-14/h5-9,15,19H,4,10-11H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol?
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62732173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).