(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol

C18H24N2O — CID 105132344

IUPAC(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccc(C3CCC3)c2)n(CC)n1
InChIInChI=1S/C18H24N2O/c1-3-16-12-17(20(4-2)19-16)18(21)15-10-6-9-14(11-15)13-7-5-8-13/h6,9-13,18,21H,3-5,7-8H2,1-2H3
InChIKeyAAMJXDWCUXMWLH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.81
Rot. Bonds5

About (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol

(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol (PubChem CID 105132344) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
PubChem CID105132344
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccc(C3CCC3)c2)n(CC)n1
InChIInChI=1S/C18H24N2O/c1-3-16-12-17(20(4-2)19-16)18(21)15-10-6-9-14(11-15)13-7-5-8-13/h6,9-13,18,21H,3-5,7-8H2,1-2H3
InChIKeyAAMJXDWCUXMWLH-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
[(3-cyclobutylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105341952
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79972588

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol (CID 105132344) is (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol is CCc1cc(C(O)c2cccc(C3CCC3)c2)n(CC)n1.
What is the InChIKey of (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol?
The InChIKey is AAMJXDWCUXMWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-16-12-17(20(4-2)19-16)18(21)15-10-6-9-14(11-15)13-7-5-8-13/h6,9-13,18,21H,3-5,7-8H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol?
(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol has a molecular weight of 284.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol is sourced from PubChem (CID 105132344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).