5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

C17H16Cl2N2O2 — CID 42643484

IUPAC5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1OC
InChIInChI=1S/C17H16Cl2N2O2/c1-22-15-7-6-10(8-16(15)23-2)13-9-14(21-20-13)17-11(18)4-3-5-12(17)19/h3-8,14,21H,9H2,1-2H3
InChIKeyVAVHIDCHVMLIOJ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.45
Rot. Bonds4

About 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole

5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 42643484) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID42643484
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1OC
InChIInChI=1S/C17H16Cl2N2O2/c1-22-15-7-6-10(8-16(15)23-2)13-9-14(21-20-13)17-11(18)4-3-5-12(17)19/h3-8,14,21H,9H2,1-2H3
InChIKeyVAVHIDCHVMLIOJ-UHFFFAOYSA-N
XLogP4.45
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 42643484) is 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1OC.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is VAVHIDCHVMLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-22-15-7-6-10(8-16(15)23-2)13-9-14(21-20-13)17-11(18)4-3-5-12(17)19/h3-8,14,21H,9H2,1-2H3.
What are the key properties of 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 351.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 42643484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).