3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol

C19H19ClN2O2 — CID 14497430

IUPAC3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
SMILESCOc1ccccc1-n1nc(CCCO)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-24-19-7-3-2-6-17(19)22-18(13-16(21-22)5-4-12-23)14-8-10-15(20)11-9-14/h2-3,6-11,13,23H,4-5,12H2,1H3
InChIKeyCOPZTRCABXDXJH-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.13
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol

3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol (PubChem CID 14497430) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
PubChem CID14497430
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
SMILESCOc1ccccc1-n1nc(CCCO)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-24-19-7-3-2-6-17(19)22-18(13-16(21-22)5-4-12-23)14-8-10-15(20)11-9-14/h2-3,6-11,13,23H,4-5,12H2,1H3
InChIKeyCOPZTRCABXDXJH-UHFFFAOYSA-N
XLogP4.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol (CID 14497430) is 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol is COc1ccccc1-n1nc(CCCO)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is COPZTRCABXDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-24-19-7-3-2-6-17(19)22-18(13-16(21-22)5-4-12-23)14-8-10-15(20)11-9-14/h2-3,6-11,13,23H,4-5,12H2,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol?
3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 342.83 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 14497430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).