[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol

C23H25N3O2 — CID 170793091

IUPAC[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2cccc(OC3CCC3)c2)n(-c2ccccc2N2CCC2)n1
InChIInChI=1S/C23H25N3O2/c27-16-18-15-23(17-6-3-9-20(14-17)28-19-7-4-8-19)26(24-18)22-11-2-1-10-21(22)25-12-5-13-25/h1-3,6,9-11,14-15,19,27H,4-5,7-8,12-13,16H2
InChIKeyBDFZAASPTFFDBF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.17
Rot. Bonds6

About [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol

[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol (PubChem CID 170793091) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol
PubChem CID170793091
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2cccc(OC3CCC3)c2)n(-c2ccccc2N2CCC2)n1
InChIInChI=1S/C23H25N3O2/c27-16-18-15-23(17-6-3-9-20(14-17)28-19-7-4-8-19)26(24-18)22-11-2-1-10-21(22)25-12-5-13-25/h1-3,6,9-11,14-15,19,27H,4-5,7-8,12-13,16H2
InChIKeyBDFZAASPTFFDBF-UHFFFAOYSA-N
XLogP4.17
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol (CID 170793091) is [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol is OCc1cc(-c2cccc(OC3CCC3)c2)n(-c2ccccc2N2CCC2)n1.
What is the InChIKey of [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol?
The InChIKey is BDFZAASPTFFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-16-18-15-23(17-6-3-9-20(14-17)28-19-7-4-8-19)26(24-18)22-11-2-1-10-21(22)25-12-5-13-25/h1-3,6,9-11,14-15,19,27H,4-5,7-8,12-13,16H2.
What are the key properties of [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol?
[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol has a molecular weight of 375.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 170793091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).