1-(3-chlorophenyl)-4-iodopyrazole

C9H6ClIN2 — CID 171439876

IUPAC1-(3-chlorophenyl)-4-iodopyrazole
SMILESClc1cccc(-n2cc(I)cn2)c1
InChIInChI=1S/C9H6ClIN2/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H
InChIKeyROIMHDJBSCYSIB-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.13
Rot. Bonds1

About 1-(3-chlorophenyl)-4-iodopyrazole

1-(3-chlorophenyl)-4-iodopyrazole (PubChem CID 171439876) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-iodopyrazole
PubChem CID171439876
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name1-(3-chlorophenyl)-4-iodopyrazole
SMILESClc1cccc(-n2cc(I)cn2)c1
InChIInChI=1S/C9H6ClIN2/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H
InChIKeyROIMHDJBSCYSIB-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.13
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

1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
methyl 2-chloro-5-(4-iodopyrazol-1-yl)benzoate
CID 122555187
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
(2R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]azetidine-2-carboxylic acid
CID 124851906
1-[3-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 79168154
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-iodopyrazole?
The IUPAC name of 1-(3-chlorophenyl)-4-iodopyrazole (CID 171439876) is 1-(3-chlorophenyl)-4-iodopyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-4-iodopyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-4-iodopyrazole is Clc1cccc(-n2cc(I)cn2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-iodopyrazole?
The InChIKey is ROIMHDJBSCYSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H.
What are the key properties of 1-(3-chlorophenyl)-4-iodopyrazole?
1-(3-chlorophenyl)-4-iodopyrazole has a molecular weight of 304.52 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-iodopyrazole is sourced from PubChem (CID 171439876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).