4-chloro-5-methyl-1H-pyrazole;hydrochloride

C4H6Cl2N2 — CID 57447000

IUPAC4-chloro-5-methyl-1H-pyrazole;hydrochloride
SMILESCc1[nH]ncc1Cl.Cl
InChIInChI=1S/C4H5ClN2.ClH/c1-3-4(5)2-6-7-3;/h2H,1H3,(H,6,7);1H
InChIKeySQNQBQVJVKLBHQ-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.79
Rot. Bonds

About 4-chloro-5-methyl-1H-pyrazole;hydrochloride

4-chloro-5-methyl-1H-pyrazole;hydrochloride (PubChem CID 57447000) has the molecular formula C4H6Cl2N2 and a molecular weight of 153.01 g/mol. Its IUPAC name is 4-chloro-5-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-chloro-5-methyl-1H-pyrazole;hydrochloride
PubChem CID57447000
Molecular FormulaC4H6Cl2N2
Molecular Weight153.01 g/mol
Exact Mass151.99
IUPAC Name4-chloro-5-methyl-1H-pyrazole;hydrochloride
SMILESCc1[nH]ncc1Cl.Cl
InChIInChI=1S/C4H5ClN2.ClH/c1-3-4(5)2-6-7-3;/h2H,1H3,(H,6,7);1H
InChIKeySQNQBQVJVKLBHQ-UHFFFAOYSA-N
XLogP1.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-methyl-1H-pyrazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 4-chloro-5-methyl-1H-pyrazole;hydrochloride (CID 57447000) is 4-chloro-5-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-chloro-5-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-chloro-5-methyl-1H-pyrazole;hydrochloride is Cc1[nH]ncc1Cl.Cl.
What is the InChIKey of 4-chloro-5-methyl-1H-pyrazole;hydrochloride?
The InChIKey is SQNQBQVJVKLBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2.ClH/c1-3-4(5)2-6-7-3;/h2H,1H3,(H,6,7);1H.
What are the key properties of 4-chloro-5-methyl-1H-pyrazole;hydrochloride?
4-chloro-5-methyl-1H-pyrazole;hydrochloride has a molecular weight of 153.01 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 57447000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).