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

C17H23FN2O — CID 114833280

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCCc1cc(CC(C)(O)Cc2cccc(F)c2)n(CC)n1
InChIInChI=1S/C17H23FN2O/c1-4-15-10-16(20(5-2)19-15)12-17(3,21)11-13-7-6-8-14(18)9-13/h6-10,21H,4-5,11-12H2,1-3H3
InChIKeyRAXYMYVEHOUZEF-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.14
Rot. Bonds6

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

1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833280) 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-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833280
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCCc1cc(CC(C)(O)Cc2cccc(F)c2)n(CC)n1
InChIInChI=1S/C17H23FN2O/c1-4-15-10-16(20(5-2)19-15)12-17(3,21)11-13-7-6-8-14(18)9-13/h6-10,21H,4-5,11-12H2,1-3H3
InChIKeyRAXYMYVEHOUZEF-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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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833258
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
1-(1,3-diethylpyrazol-5-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001476
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833280) is 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is CCc1cc(CC(C)(O)Cc2cccc(F)c2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is RAXYMYVEHOUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-15-10-16(20(5-2)19-15)12-17(3,21)11-13-7-6-8-14(18)9-13/h6-10,21H,4-5,11-12H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(1,3-diethylpyrazol-5-yl)-3-(3-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-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).