1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

C17H23FN2O — CID 114832715

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCCc1cc(CC(C)(O)Cc2ccccc2F)n(CC)n1
InChIInChI=1S/C17H23FN2O/c1-4-14-10-15(20(5-2)19-14)12-17(3,21)11-13-8-6-7-9-16(13)18/h6-10,21H,4-5,11-12H2,1-3H3
InChIKeyWHLYCRRSGINWSH-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.14
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114832715) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114832715
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCCc1cc(CC(C)(O)Cc2ccccc2F)n(CC)n1
InChIInChI=1S/C17H23FN2O/c1-4-14-10-15(20(5-2)19-14)12-17(3,21)11-13-8-6-7-9-16(13)18/h6-10,21H,4-5,11-12H2,1-3H3
InChIKeyWHLYCRRSGINWSH-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (CID 114832715) is 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is CCc1cc(CC(C)(O)Cc2ccccc2F)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is WHLYCRRSGINWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-14-10-15(20(5-2)19-14)12-17(3,21)11-13-8-6-7-9-16(13)18/h6-10,21H,4-5,11-12H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114832715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).