4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole

C11H10ClIN2 — CID 134365262

IUPAC4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole
SMILESCc1nn(I)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClIN2/c1-7-11(8(2)15(13)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeySRKQUNAKMAADGS-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.02
Rot. Bonds1

About 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole

4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole (PubChem CID 134365262) has the molecular formula C11H10ClIN2 and a molecular weight of 332.57 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole
PubChem CID134365262
Molecular FormulaC11H10ClIN2
Molecular Weight332.57 g/mol
Exact Mass331.96
IUPAC Name4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole
SMILESCc1nn(I)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClIN2/c1-7-11(8(2)15(13)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeySRKQUNAKMAADGS-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3-(4-Chlorophenyl)-5-(p-tolyl)-1H-pyrazole
CID 11737273
4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 2773627
3-Benzyl-6-chloropyridazine
CID 6404535
5-(4-Chlorophenyl)-1H-pyrazole-3-acetonitrile
CID 11790641
Pyridazine, 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)-
CID 11653176
6-Chloro-4-methyl-3-phenylpyridazine
CID 6409790

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole (CID 134365262) is 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole is Cc1nn(I)c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole?
The InChIKey is SRKQUNAKMAADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2/c1-7-11(8(2)15(13)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole?
4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole has a molecular weight of 332.57 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 134365262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).