1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol

C17H16N2O — CID 45231150

IUPAC1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
SMILESCC(O)c1cccc(-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C17H16N2O/c1-12(20)13-4-2-5-14(10-13)15-6-3-7-16(11-15)17-8-9-18-19-17/h2-12,20H,1H3,(H,18,19)
InChIKeyDHFZXQBEKUQKGZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.80
Rot. Bonds3

About 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol

1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol (PubChem CID 45231150) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
PubChem CID45231150
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
SMILESCC(O)c1cccc(-c2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C17H16N2O/c1-12(20)13-4-2-5-14(10-13)15-6-3-7-16(11-15)17-8-9-18-19-17/h2-12,20H,1H3,(H,18,19)
InChIKeyDHFZXQBEKUQKGZ-UHFFFAOYSA-N
XLogP3.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-propan-2-ylphenyl)-1H-pyrazole
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5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
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2-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol?
The IUPAC name of 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol (CID 45231150) is 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol is CC(O)c1cccc(-c2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol?
The InChIKey is DHFZXQBEKUQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(20)13-4-2-5-14(10-13)15-6-3-7-16(11-15)17-8-9-18-19-17/h2-12,20H,1H3,(H,18,19).
What are the key properties of 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol?
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol has a molecular weight of 264.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol is sourced from PubChem (CID 45231150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).