1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole

C8H11F2N3O3 — CID 146569725

IUPAC1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole
SMILESCOCCOc1nn(CC(F)F)cc1N=O
InChIInChI=1S/C8H11F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7H,2-3,5H2,1H3
InChIKeyQDCPZCKADDJICR-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.57
Rot. Bonds7

About 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole

1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole (PubChem CID 146569725) has the molecular formula C8H11F2N3O3 and a molecular weight of 235.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole
PubChem CID146569725
Molecular FormulaC8H11F2N3O3
Molecular Weight235.19 g/mol
Exact Mass235.08
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole
SMILESCOCCOc1nn(CC(F)F)cc1N=O
InChIInChI=1S/C8H11F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7H,2-3,5H2,1H3
InChIKeyQDCPZCKADDJICR-UHFFFAOYSA-N
XLogP1.57
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole (CID 146569725) is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole is COCCOc1nn(CC(F)F)cc1N=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole?
The InChIKey is QDCPZCKADDJICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3/c1-15-2-3-16-8-6(12-14)4-13(11-8)5-7(9)10/h4,7H,2-3,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole?
1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole has a molecular weight of 235.19 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-nitrosopyrazole is sourced from PubChem (CID 146569725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).