1-(2,6-dichlorophenyl)-5-methylpyrazole

C10H8Cl2N2 — CID 91245761

IUPAC1-(2,6-dichlorophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-7-5-6-13-14(7)10-8(11)3-2-4-9(10)12/h2-6H,1H3
InChIKeyKNRGWTILHJRLLC-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.49
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-5-methylpyrazole

1-(2,6-dichlorophenyl)-5-methylpyrazole (PubChem CID 91245761) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-methylpyrazole
PubChem CID91245761
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name1-(2,6-dichlorophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-7-5-6-13-14(7)10-8(11)3-2-4-9(10)12/h2-6H,1H3
InChIKeyKNRGWTILHJRLLC-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-3-oxopyridazine-4-carboxamide
CID 170082321
3-(5-methylpyrazol-1-yl)aniline
CID 43154912
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
CID 54246679
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 31361004
2-chloro-4-(5-methylpyrazol-1-yl)benzoyl chloride
CID 59756402
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
3-(5-methylpyrazol-1-yl)benzaldehyde
CID 121219228
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
3-chloro-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499273

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-methylpyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-methylpyrazole (CID 91245761) is 1-(2,6-dichlorophenyl)-5-methylpyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-methylpyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-methylpyrazole is Cc1ccnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-methylpyrazole?
The InChIKey is KNRGWTILHJRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-7-5-6-13-14(7)10-8(11)3-2-4-9(10)12/h2-6H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-methylpyrazole?
1-(2,6-dichlorophenyl)-5-methylpyrazole has a molecular weight of 227.09 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-methylpyrazole is sourced from PubChem (CID 91245761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).