3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole

C10H8Cl2N2 — CID 118330650

IUPAC3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole
SMILESCC1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-6-5-13-14-10(6)8-3-2-7(11)4-9(8)12/h2-6H,1H3
InChIKeyHRAMKWKNXKUHNZ-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.42
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole

3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole (PubChem CID 118330650) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole
PubChem CID118330650
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole
SMILESCC1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-6-5-13-14-10(6)8-3-2-7(11)4-9(8)12/h2-6H,1H3
InChIKeyHRAMKWKNXKUHNZ-UHFFFAOYSA-N
XLogP3.42
TPSA24.72 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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole (CID 118330650) is 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole is CC1C=NN=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole?
The InChIKey is HRAMKWKNXKUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-6-5-13-14-10(6)8-3-2-7(11)4-9(8)12/h2-6H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole?
3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole has a molecular weight of 227.09 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-methyl-4H-pyrazole is sourced from PubChem (CID 118330650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).