3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole

C19H12Cl2N2 — CID 102450715

IUPAC3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole
SMILESClc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1Cl
InChIInChI=1S/C19H12Cl2N2/c20-16-8-7-15(10-17(16)21)19-11-18(22-23-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,22,23)
InChIKeyVEWMCPGFGDMXGA-UHFFFAOYSA-N
MW339.23 g/mol
LogP6.20
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole

3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole (PubChem CID 102450715) has the molecular formula C19H12Cl2N2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole
PubChem CID102450715
Molecular FormulaC19H12Cl2N2
Molecular Weight339.23 g/mol
Exact Mass338.04
IUPAC Name3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole
SMILESClc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1Cl
InChIInChI=1S/C19H12Cl2N2/c20-16-8-7-15(10-17(16)21)19-11-18(22-23-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,22,23)
InChIKeyVEWMCPGFGDMXGA-UHFFFAOYSA-N
XLogP6.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole (CID 102450715) is 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole is Clc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole?
The InChIKey is VEWMCPGFGDMXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2/c20-16-8-7-15(10-17(16)21)19-11-18(22-23-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,22,23).
What are the key properties of 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole?
3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole has a molecular weight of 339.23 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-1H-pyrazole is sourced from PubChem (CID 102450715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).