1-(2,4-difluorobenzene-6-id-1-yl)pyrazole

C9H5F2N2- — CID 59360766

IUPAC1-(2,4-difluorobenzene-6-id-1-yl)pyrazole
SMILESFc1c[c-]c(-n2cccn2)c(F)c1
InChIInChI=1S/C9H5F2N2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-2,4-6H/q-1
InChIKeyCLSGNRYSQITKFX-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole

1-(2,4-difluorobenzene-6-id-1-yl)pyrazole (PubChem CID 59360766) has the molecular formula C9H5F2N2- and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole.

Molecular Properties

Compound Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole
PubChem CID59360766
Molecular FormulaC9H5F2N2-
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole
SMILESFc1c[c-]c(-n2cccn2)c(F)c1
InChIInChI=1S/C9H5F2N2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-2,4-6H/q-1
InChIKeyCLSGNRYSQITKFX-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-1H-pyrazole
CID 18981687
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1-ethenyl-1H-pyrazole
CID 6420997
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-(2,2-difluoroethyl)-1H-pyrazole
CID 25247479
1-(Fluoromethyl)pyrazole
CID 67077490
Tetrafluoroethyl 1h pyrazol
CID 67379177
1-Propadienylpyrazole
CID 14787049
1-Isopropenylpyrazole
CID 21593523
(e)-1,2-Difluoro-1,2-bis(1h-pyrazol-1-yl)ethene
CID 129746317
1-(2-Chloro-1,2-difluorovinyl)-1h-pyrazole
CID 129751735

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole?
The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole (CID 59360766) is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole.
What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole?
The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole is Fc1c[c-]c(-n2cccn2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole?
The InChIKey is CLSGNRYSQITKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-2,4-6H/q-1.
What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole?
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole has a molecular weight of 179.15 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole is sourced from PubChem (CID 59360766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).