2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol

C14H14N4O — CID 47012675

IUPAC2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C14H14N4O/c19-7-6-17-10-12(8-15-17)13-9-16-18(11-13)14-4-2-1-3-5-14/h1-5,8-11,19H,6-7H2
InChIKeySOBLKRXGJYKEJE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.73
Rot. Bonds4

About 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol

2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol (PubChem CID 47012675) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
PubChem CID47012675
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C14H14N4O/c19-7-6-17-10-12(8-15-17)13-9-16-18(11-13)14-4-2-1-3-5-14/h1-5,8-11,19H,6-7H2
InChIKeySOBLKRXGJYKEJE-UHFFFAOYSA-N
XLogP1.73
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methyl-1-phenylpyrazol-3-yl)pyrazol-1-yl]ethanol
CID 142747346
2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol
CID 141336990
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
4-(4-chlorophenyl)-1-phenylpyrazole
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[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
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2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
CID 172649274
2-[4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-1-yl]ethanol
CID 72924283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol (CID 47012675) is 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol is OCCn1cc(-c2cnn(-c3ccccc3)c2)cn1.
What is the InChIKey of 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol?
The InChIKey is SOBLKRXGJYKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-7-6-17-10-12(8-15-17)13-9-16-18(11-13)14-4-2-1-3-5-14/h1-5,8-11,19H,6-7H2.
What are the key properties of 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol?
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 47012675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).