5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole

C9H10ClF2N3O2 — CID 66020779

IUPAC5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C9H10ClF2N3O2/c10-8-7(15(16)17)6(9(11)12)13-14(8)5-3-1-2-4-5/h5,9H,1-4H2
InChIKeyKIKKMMOYOHCKRR-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole

5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole (PubChem CID 66020779) has the molecular formula C9H10ClF2N3O2 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole.

Molecular Properties

Compound Name5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole
PubChem CID66020779
Molecular FormulaC9H10ClF2N3O2
Molecular Weight265.65 g/mol
Exact Mass265.04
IUPAC Name5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C9H10ClF2N3O2/c10-8-7(15(16)17)6(9(11)12)13-14(8)5-3-1-2-4-5/h5,9H,1-4H2
InChIKeyKIKKMMOYOHCKRR-UHFFFAOYSA-N
XLogP3.50
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole?
The IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole (CID 66020779) is 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole.
What is the SMILES notation for 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole?
The canonical SMILES for 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole is O=[N+]([O-])c1c(C(F)F)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole?
The InChIKey is KIKKMMOYOHCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O2/c10-8-7(15(16)17)6(9(11)12)13-14(8)5-3-1-2-4-5/h5,9H,1-4H2.
What are the key properties of 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole?
5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole has a molecular weight of 265.65 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole is sourced from PubChem (CID 66020779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).