1,3-dichlorobenzene;1H-pyrazole

C9H8Cl2N2 — CID 174753149

IUPAC1,3-dichlorobenzene;1H-pyrazole
SMILESClc1cccc(Cl)c1.c1cn[nH]c1
InChIInChI=1S/C6H4Cl2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4H;1-3H,(H,4,5)
InChIKeyKAKAZVSHCPVWHC-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.40
Rot. Bonds

About 1,3-dichlorobenzene;1H-pyrazole

1,3-dichlorobenzene;1H-pyrazole (PubChem CID 174753149) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 1,3-dichlorobenzene;1H-pyrazole.

Molecular Properties

Compound Name1,3-dichlorobenzene;1H-pyrazole
PubChem CID174753149
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name1,3-dichlorobenzene;1H-pyrazole
SMILESClc1cccc(Cl)c1.c1cn[nH]c1
InChIInChI=1S/C6H4Cl2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4H;1-3H,(H,4,5)
InChIKeyKAKAZVSHCPVWHC-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
sodium;1,3-dichlorobenzene;hydride
CID 175271520
1,3-dichlorobenzene;sulfanol
CID 174381890
butane;1,3-dichlorobenzene
CID 174455068
1H-imidazole;1H-pyrazole
CID 22923667
1,3-dichlorobenzene;guanidine
CID 174959611
2,2-dimethylbutane;ethane;1H-pyrazole
CID 91588936
CID 11133415
CID 11133415
benzyl formate;1H-pyrazole
CID 175258603
2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;1H-pyrazole?
The IUPAC name of 1,3-dichlorobenzene;1H-pyrazole (CID 174753149) is 1,3-dichlorobenzene;1H-pyrazole.
What is the SMILES notation for 1,3-dichlorobenzene;1H-pyrazole?
The canonical SMILES for 1,3-dichlorobenzene;1H-pyrazole is Clc1cccc(Cl)c1.c1cn[nH]c1.
What is the InChIKey of 1,3-dichlorobenzene;1H-pyrazole?
The InChIKey is KAKAZVSHCPVWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4H;1-3H,(H,4,5).
What are the key properties of 1,3-dichlorobenzene;1H-pyrazole?
1,3-dichlorobenzene;1H-pyrazole has a molecular weight of 215.08 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;1H-pyrazole is sourced from PubChem (CID 174753149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).