5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole

C10H8Cl2N2 — CID 150121875

IUPAC5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-6-2-3-7(10(12)9(6)11)8-4-5-13-14-8/h2-5H,1H3,(H,13,14)
InChIKeyDZKLRSBMCXRXGX-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.69
Rot. Bonds1

About 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole

5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole (PubChem CID 150121875) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole
PubChem CID150121875
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-6-2-3-7(10(12)9(6)11)8-4-5-13-14-8/h2-5H,1H3,(H,13,14)
InChIKeyDZKLRSBMCXRXGX-UHFFFAOYSA-N
XLogP3.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole (CID 150121875) is 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2ccn[nH]2)c(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole?
The InChIKey is DZKLRSBMCXRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-6-2-3-7(10(12)9(6)11)8-4-5-13-14-8/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole?
5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole has a molecular weight of 227.09 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 150121875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).