3,4-dichloro-5-methyl-1H-pyrazole

C4H4Cl2N2 — CID 14849319

IUPAC3,4-dichloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyWQYUUXGZKGXDFW-UHFFFAOYSA-N
MW151.00 g/mol
LogP2.02
Rot. Bonds

About 3,4-dichloro-5-methyl-1H-pyrazole

3,4-dichloro-5-methyl-1H-pyrazole (PubChem CID 14849319) has the molecular formula C4H4Cl2N2 and a molecular weight of 151.00 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,4-dichloro-5-methyl-1H-pyrazole
PubChem CID14849319
Molecular FormulaC4H4Cl2N2
Molecular Weight151.00 g/mol
Exact Mass149.98
IUPAC Name3,4-dichloro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyWQYUUXGZKGXDFW-UHFFFAOYSA-N
XLogP2.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-1H-pyrazole?
The IUPAC name of 3,4-dichloro-5-methyl-1H-pyrazole (CID 14849319) is 3,4-dichloro-5-methyl-1H-pyrazole.
What is the SMILES notation for 3,4-dichloro-5-methyl-1H-pyrazole?
The canonical SMILES for 3,4-dichloro-5-methyl-1H-pyrazole is Cc1[nH]nc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methyl-1H-pyrazole?
The InChIKey is WQYUUXGZKGXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 3,4-dichloro-5-methyl-1H-pyrazole?
3,4-dichloro-5-methyl-1H-pyrazole has a molecular weight of 151.00 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methyl-1H-pyrazole is sourced from PubChem (CID 14849319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).