5-chloro-1-(4-chlorophenyl)-4-methylpyrazole

C10H8Cl2N2 — CID 20686663

IUPAC5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-7-6-13-14(10(7)12)9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyUGNBAWSDAKXMSM-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.49
Rot. Bonds1

About 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole

5-chloro-1-(4-chlorophenyl)-4-methylpyrazole (PubChem CID 20686663) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
PubChem CID20686663
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-7-6-13-14(10(7)12)9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyUGNBAWSDAKXMSM-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole (CID 20686663) is 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole is Cc1cnn(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole?
The InChIKey is UGNBAWSDAKXMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-7-6-13-14(10(7)12)9-4-2-8(11)3-5-9/h2-6H,1H3.
What are the key properties of 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole?
5-chloro-1-(4-chlorophenyl)-4-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 5-chloro-1-(4-chlorophenyl)-4-methylpyrazole is sourced from PubChem (CID 20686663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).