3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol

C20H20Cl2N2O3 — CID 19810477

IUPAC3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol
SMILESCOc1ccc(-n2nc(CCCO)cc2-c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C20H20Cl2N2O3/c1-26-19-8-6-15(12-20(19)27-2)24-18(11-14(23-24)4-3-9-25)13-5-7-16(21)17(22)10-13/h5-8,10-12,25H,3-4,9H2,1-2H3
InChIKeyRSKOHVIFELRQID-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.79
Rot. Bonds7

About 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol

3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol (PubChem CID 19810477) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol
PubChem CID19810477
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol
SMILESCOc1ccc(-n2nc(CCCO)cc2-c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C20H20Cl2N2O3/c1-26-19-8-6-15(12-20(19)27-2)24-18(11-14(23-24)4-3-9-25)13-5-7-16(21)17(22)10-13/h5-8,10-12,25H,3-4,9H2,1-2H3
InChIKeyRSKOHVIFELRQID-UHFFFAOYSA-N
XLogP4.79
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol (CID 19810477) is 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol is COc1ccc(-n2nc(CCCO)cc2-c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is RSKOHVIFELRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-26-19-8-6-15(12-20(19)27-2)24-18(11-14(23-24)4-3-9-25)13-5-7-16(21)17(22)10-13/h5-8,10-12,25H,3-4,9H2,1-2H3.
What are the key properties of 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol?
3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 407.30 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 19810477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).