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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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).