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

C9H6Cl2N2 — CID 97049956

IUPAC3-(2,4-dichlorophenyl)-4H-pyrazole
SMILESClc1ccc(C2=NN=CC2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-2,4-5H,3H2
InChIKeyXDTBYESXFVXRRP-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.17
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-4H-pyrazole (PubChem CID 97049956) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4H-pyrazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4H-pyrazole
PubChem CID97049956
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name3-(2,4-dichlorophenyl)-4H-pyrazole
SMILESClc1ccc(C2=NN=CC2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-2,4-5H,3H2
InChIKeyXDTBYESXFVXRRP-UHFFFAOYSA-N
XLogP3.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
CID 144921488
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
methane;1,2,4-trichlorobenzene
CID 157397102
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
2,6-dichloro-3-(2,4-dichlorophenyl)pyridine
CID 133088201
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135800629
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135800628
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4H-pyrazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-4H-pyrazole (CID 97049956) is 3-(2,4-dichlorophenyl)-4H-pyrazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4H-pyrazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4H-pyrazole is Clc1ccc(C2=NN=CC2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4H-pyrazole?
The InChIKey is XDTBYESXFVXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-2,4-5H,3H2.
What are the key properties of 3-(2,4-dichlorophenyl)-4H-pyrazole?
3-(2,4-dichlorophenyl)-4H-pyrazole has a molecular weight of 213.07 g/mol, XLogP of 3.17, 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)-4H-pyrazole is sourced from PubChem (CID 97049956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).