4-chloro-1-cyclopropyl-3-iodopyrazole

C6H6ClIN2 — CID 175535161

IUPAC4-chloro-1-cyclopropyl-3-iodopyrazole
SMILESClc1cn(C2CC2)nc1I
InChIInChI=1S/C6H6ClIN2/c7-5-3-10(4-1-2-4)9-6(5)8/h3-4H,1-2H2
InChIKeyFIPCZGNHWMJAMN-UHFFFAOYSA-N
MW268.49 g/mol
LogP2.48
Rot. Bonds1

About 4-chloro-1-cyclopropyl-3-iodopyrazole

4-chloro-1-cyclopropyl-3-iodopyrazole (PubChem CID 175535161) has the molecular formula C6H6ClIN2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-3-iodopyrazole.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-3-iodopyrazole
PubChem CID175535161
Molecular FormulaC6H6ClIN2
Molecular Weight268.49 g/mol
Exact Mass267.93
IUPAC Name4-chloro-1-cyclopropyl-3-iodopyrazole
SMILESClc1cn(C2CC2)nc1I
InChIInChI=1S/C6H6ClIN2/c7-5-3-10(4-1-2-4)9-6(5)8/h3-4H,1-2H2
InChIKeyFIPCZGNHWMJAMN-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-3-iodopyrazole?
The IUPAC name of 4-chloro-1-cyclopropyl-3-iodopyrazole (CID 175535161) is 4-chloro-1-cyclopropyl-3-iodopyrazole.
What is the SMILES notation for 4-chloro-1-cyclopropyl-3-iodopyrazole?
The canonical SMILES for 4-chloro-1-cyclopropyl-3-iodopyrazole is Clc1cn(C2CC2)nc1I.
What is the InChIKey of 4-chloro-1-cyclopropyl-3-iodopyrazole?
The InChIKey is FIPCZGNHWMJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIN2/c7-5-3-10(4-1-2-4)9-6(5)8/h3-4H,1-2H2.
What are the key properties of 4-chloro-1-cyclopropyl-3-iodopyrazole?
4-chloro-1-cyclopropyl-3-iodopyrazole has a molecular weight of 268.49 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-3-iodopyrazole is sourced from PubChem (CID 175535161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).