1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol

C15H20N2O — CID 115798873

IUPAC1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccnn1CC
InChIInChI=1S/C15H20N2O/c1-3-13(12-8-6-5-7-9-12)15(18)14-10-11-16-17(14)4-2/h5-11,13,15,18H,3-4H2,1-2H3
InChIKeyGAPAFRAUNKKPOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol

1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol (PubChem CID 115798873) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol
PubChem CID115798873
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccnn1CC
InChIInChI=1S/C15H20N2O/c1-3-13(12-8-6-5-7-9-12)15(18)14-10-11-16-17(14)4-2/h5-11,13,15,18H,3-4H2,1-2H3
InChIKeyGAPAFRAUNKKPOH-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
CID 114556287
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
CID 114556807
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
(2S)-3-phenylpentan-2-ol
CID 45048673
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol (CID 115798873) is 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol?
The InChIKey is GAPAFRAUNKKPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-13(12-8-6-5-7-9-12)15(18)14-10-11-16-17(14)4-2/h5-11,13,15,18H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol?
1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 115798873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).