5-(3,4-dichlorophenyl)-1-methylpyrazole

C10H8Cl2N2 — CID 71232464

IUPAC5-(3,4-dichlorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,1H3
InChIKeyLQDHHMYQUPWKTB-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.39
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1-methylpyrazole

5-(3,4-dichlorophenyl)-1-methylpyrazole (PubChem CID 71232464) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-methylpyrazole
PubChem CID71232464
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name5-(3,4-dichlorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,1H3
InChIKeyLQDHHMYQUPWKTB-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-methylpyrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-methylpyrazole (CID 71232464) is 5-(3,4-dichlorophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-methylpyrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-methylpyrazole is Cn1nccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-methylpyrazole?
The InChIKey is LQDHHMYQUPWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-14-10(4-5-13-14)7-2-3-8(11)9(12)6-7/h2-6H,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-1-methylpyrazole?
5-(3,4-dichlorophenyl)-1-methylpyrazole has a molecular weight of 227.09 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-methylpyrazole is sourced from PubChem (CID 71232464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).