4-(4-chlorophenyl)-5-iodo-1H-pyrazole

C9H6ClIN2 — CID 165452204

IUPAC4-(4-chlorophenyl)-5-iodo-1H-pyrazole
SMILESClc1ccc(-c2cn[nH]c2I)cc1
InChIInChI=1S/C9H6ClIN2/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H,12,13)
InChIKeyZNVWTCSLJODDCW-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.33
Rot. Bonds1

About 4-(4-chlorophenyl)-5-iodo-1H-pyrazole

4-(4-chlorophenyl)-5-iodo-1H-pyrazole (PubChem CID 165452204) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-iodo-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-iodo-1H-pyrazole
PubChem CID165452204
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name4-(4-chlorophenyl)-5-iodo-1H-pyrazole
SMILESClc1ccc(-c2cn[nH]c2I)cc1
InChIInChI=1S/C9H6ClIN2/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H,12,13)
InChIKeyZNVWTCSLJODDCW-UHFFFAOYSA-N
XLogP3.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.33
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

4-(4-bromophenyl)-5-iodo-1H-pyrazole
CID 165452201
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
methyl N-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]carbamate
CID 110459510
[4-[5-(4-chlorophenyl)-6-oxo-1H-pyridazin-4-yl]phenyl]methanesulfinate
CID 174375147
ethyl 4-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 44515223
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
N-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrimidin-5-amine;formic acid
CID 171322142
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
CID 736210
4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile
CID 11152690
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158061129

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-iodo-1H-pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-5-iodo-1H-pyrazole (CID 165452204) is 4-(4-chlorophenyl)-5-iodo-1H-pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-iodo-1H-pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-iodo-1H-pyrazole is Clc1ccc(-c2cn[nH]c2I)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-iodo-1H-pyrazole?
The InChIKey is ZNVWTCSLJODDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H,12,13).
What are the key properties of 4-(4-chlorophenyl)-5-iodo-1H-pyrazole?
4-(4-chlorophenyl)-5-iodo-1H-pyrazole has a molecular weight of 304.52 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-iodo-1H-pyrazole is sourced from PubChem (CID 165452204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).