5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole

C11H10Cl2N2 — CID 66021982

IUPAC5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1C
InChIInChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-5-3-4-9(12)6-10/h3-6H,1-2H3
InChIKeyAAWZGRHCTBYIAG-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.80
Rot. Bonds1

About 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole

5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole (PubChem CID 66021982) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
PubChem CID66021982
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1C
InChIInChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-5-3-4-9(12)6-10/h3-6H,1-2H3
InChIKeyAAWZGRHCTBYIAG-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
2-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylidene]propanedinitrile
CID 2635616
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 7819051
1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
CID 82419687
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
4-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 78809954
2-[5-bromo-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]acetonitrile
CID 116818054
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
1-(3-chlorophenyl)-5-ethyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 50888600
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole?
The IUPAC name of 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole (CID 66021982) is 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole.
What is the SMILES notation for 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole?
The canonical SMILES for 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole is Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C.
What is the InChIKey of 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole?
The InChIKey is AAWZGRHCTBYIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-5-3-4-9(12)6-10/h3-6H,1-2H3.
What are the key properties of 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole?
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole is sourced from PubChem (CID 66021982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).