1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol

C16H22N2O — CID 115780635

IUPAC1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cnn(CC)c1
InChIInChI=1S/C16H22N2O/c1-3-15(14-8-6-5-7-9-14)16(19)10-13-11-17-18(4-2)12-13/h5-9,11-12,15-16,19H,3-4,10H2,1-2H3
InChIKeyDOVUTXRJPBIOLL-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.00
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol

1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol (PubChem CID 115780635) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
PubChem CID115780635
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cnn(CC)c1
InChIInChI=1S/C16H22N2O/c1-3-15(14-8-6-5-7-9-14)16(19)10-13-11-17-18(4-2)12-13/h5-9,11-12,15-16,19H,3-4,10H2,1-2H3
InChIKeyDOVUTXRJPBIOLL-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol
CID 116711224
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
[3-(1-ethylpyrazol-4-yl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
CID 105279023
3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
CID 79436089
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol (CID 115780635) is 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol is CCC(c1ccccc1)C(O)Cc1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol?
The InChIKey is DOVUTXRJPBIOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-15(14-8-6-5-7-9-14)16(19)10-13-11-17-18(4-2)12-13/h5-9,11-12,15-16,19H,3-4,10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol is sourced from PubChem (CID 115780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).