3-iodo-5-methyl-1H-pyrazole;hydrochloride

C4H6ClIN2 — CID 74889763

IUPAC3-iodo-5-methyl-1H-pyrazole;hydrochloride
SMILESCc1cc(I)n[nH]1.Cl
InChIInChI=1S/C4H5IN2.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H,6,7);1H
InChIKeySQDVADFRJGHHNY-UHFFFAOYSA-N
MW244.46 g/mol
LogP1.74
Rot. Bonds

About 3-iodo-5-methyl-1H-pyrazole;hydrochloride

3-iodo-5-methyl-1H-pyrazole;hydrochloride (PubChem CID 74889763) has the molecular formula C4H6ClIN2 and a molecular weight of 244.46 g/mol. Its IUPAC name is 3-iodo-5-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name3-iodo-5-methyl-1H-pyrazole;hydrochloride
PubChem CID74889763
Molecular FormulaC4H6ClIN2
Molecular Weight244.46 g/mol
Exact Mass243.93
IUPAC Name3-iodo-5-methyl-1H-pyrazole;hydrochloride
SMILESCc1cc(I)n[nH]1.Cl
InChIInChI=1S/C4H5IN2.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H,6,7);1H
InChIKeySQDVADFRJGHHNY-UHFFFAOYSA-N
XLogP1.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 3-iodo-5-methyl-1H-pyrazole;hydrochloride (CID 74889763) is 3-iodo-5-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 3-iodo-5-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 3-iodo-5-methyl-1H-pyrazole;hydrochloride is Cc1cc(I)n[nH]1.Cl.
What is the InChIKey of 3-iodo-5-methyl-1H-pyrazole;hydrochloride?
The InChIKey is SQDVADFRJGHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H,6,7);1H.
What are the key properties of 3-iodo-5-methyl-1H-pyrazole;hydrochloride?
3-iodo-5-methyl-1H-pyrazole;hydrochloride has a molecular weight of 244.46 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 74889763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).