2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol

C15H20N2O — CID 166638800

IUPAC2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol
SMILESCC(C)Cn1cc(-c2cccc(CCO)c2)cn1
InChIInChI=1S/C15H20N2O/c1-12(2)10-17-11-15(9-16-17)14-5-3-4-13(8-14)6-7-18/h3-5,8-9,11-12,18H,6-7,10H2,1-2H3
InChIKeyFSGORVLNBOSTGE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds5

About 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol

2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol (PubChem CID 166638800) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol
PubChem CID166638800
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol
SMILESCC(C)Cn1cc(-c2cccc(CCO)c2)cn1
InChIInChI=1S/C15H20N2O/c1-12(2)10-17-11-15(9-16-17)14-5-3-4-13(8-14)6-7-18/h3-5,8-9,11-12,18H,6-7,10H2,1-2H3
InChIKeyFSGORVLNBOSTGE-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol (CID 166638800) is 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol is CC(C)Cn1cc(-c2cccc(CCO)c2)cn1.
What is the InChIKey of 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol?
The InChIKey is FSGORVLNBOSTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)10-17-11-15(9-16-17)14-5-3-4-13(8-14)6-7-18/h3-5,8-9,11-12,18H,6-7,10H2,1-2H3.
What are the key properties of 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol?
2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 166638800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).