1-cyclopentyl-4-(3-iodophenyl)pyrazole

C14H15IN2 — CID 79788089

IUPAC1-cyclopentyl-4-(3-iodophenyl)pyrazole
SMILESIc1cccc(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C14H15IN2/c15-13-5-3-4-11(8-13)12-9-16-17(10-12)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2
InChIKeyKJPSIPGNUDTSBR-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.27
Rot. Bonds2

About 1-cyclopentyl-4-(3-iodophenyl)pyrazole

1-cyclopentyl-4-(3-iodophenyl)pyrazole (PubChem CID 79788089) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3-iodophenyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(3-iodophenyl)pyrazole
PubChem CID79788089
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-cyclopentyl-4-(3-iodophenyl)pyrazole
SMILESIc1cccc(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C14H15IN2/c15-13-5-3-4-11(8-13)12-9-16-17(10-12)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2
InChIKeyKJPSIPGNUDTSBR-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.27
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 1-cyclopentyl-4-(3-iodophenyl)pyrazole?
The IUPAC name of 1-cyclopentyl-4-(3-iodophenyl)pyrazole (CID 79788089) is 1-cyclopentyl-4-(3-iodophenyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(3-iodophenyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-(3-iodophenyl)pyrazole is Ic1cccc(-c2cnn(C3CCCC3)c2)c1.
What is the InChIKey of 1-cyclopentyl-4-(3-iodophenyl)pyrazole?
The InChIKey is KJPSIPGNUDTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c15-13-5-3-4-11(8-13)12-9-16-17(10-12)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2.
What are the key properties of 1-cyclopentyl-4-(3-iodophenyl)pyrazole?
1-cyclopentyl-4-(3-iodophenyl)pyrazole has a molecular weight of 338.19 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3-iodophenyl)pyrazole is sourced from PubChem (CID 79788089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).