3-chloro-4-iodo-5-methyl-1H-pyrazole

C4H4ClIN2 — CID 134890751

IUPAC3-chloro-4-iodo-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1I
InChIInChI=1S/C4H4ClIN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8)
InChIKeySQLXEHYOSCXOSX-UHFFFAOYSA-N
MW242.45 g/mol
LogP1.98
Rot. Bonds

About 3-chloro-4-iodo-5-methyl-1H-pyrazole

3-chloro-4-iodo-5-methyl-1H-pyrazole (PubChem CID 134890751) has the molecular formula C4H4ClIN2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-chloro-4-iodo-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-chloro-4-iodo-5-methyl-1H-pyrazole
PubChem CID134890751
Molecular FormulaC4H4ClIN2
Molecular Weight242.45 g/mol
Exact Mass241.91
IUPAC Name3-chloro-4-iodo-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1I
InChIInChI=1S/C4H4ClIN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8)
InChIKeySQLXEHYOSCXOSX-UHFFFAOYSA-N
XLogP1.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methyl-1H-pyrazole
CID 316061
4-chloro-3,5-dimethyl-1H-pyrazole
CID 673688
5-chloro-3,4-dimethyl-1H-pyrazole
CID 14849323
5-iodo-3,4-dimethyl-1H-pyrazole
CID 22088055
4-Bromo-3-chloro-5-methyl-1H-pyrazole
CID 14849317
3,4-Dichloro-5-methyl-1H-pyrazole
CID 14849319
4-Chloro-3-fluoro-5-methyl-1H-pyrazole
CID 14849320
3-(Trifluoromethyl)-4-chloro-5-iodo-1H-pyrazole
CID 57840309
3-Fluoro-4-iodo-5-methyl-1H-pyrazole
CID 138494866
4-fluoro-3-iodo-5-methyl-1H-pyrazole
CID 146393148
3-chloro-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 149452798
3-chloro-5-(difluoromethyl)-4-methyl-1H-pyrazole
CID 155301301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-5-methyl-1H-pyrazole?
The IUPAC name of 3-chloro-4-iodo-5-methyl-1H-pyrazole (CID 134890751) is 3-chloro-4-iodo-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-chloro-4-iodo-5-methyl-1H-pyrazole?
The canonical SMILES for 3-chloro-4-iodo-5-methyl-1H-pyrazole is Cc1[nH]nc(Cl)c1I.
What is the InChIKey of 3-chloro-4-iodo-5-methyl-1H-pyrazole?
The InChIKey is SQLXEHYOSCXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClIN2/c1-2-3(6)4(5)8-7-2/h1H3,(H,7,8).
What are the key properties of 3-chloro-4-iodo-5-methyl-1H-pyrazole?
3-chloro-4-iodo-5-methyl-1H-pyrazole has a molecular weight of 242.45 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-5-methyl-1H-pyrazole is sourced from PubChem (CID 134890751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).