1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc

C9H5F2N2YZn- — CID 20747767

IUPAC1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc
SMILESFc1c[c-]c(-n2cccn2)cc1F.[Y].[Zn]
InChIInChI=1S/C9H5F2N2.Y.Zn/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13;;/h1,3-6H;;/q-1;;
InChIKeyPERUKINYUFMVHQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.95
Rot. Bonds1

About 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc

1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc (PubChem CID 20747767) has the molecular formula C9H5F2N2YZn- and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc.

Molecular Properties

Compound Name1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc
PubChem CID20747767
Molecular FormulaC9H5F2N2YZn-
Molecular Weight333.45 g/mol
Exact Mass331.88
IUPAC Name1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc
SMILESFc1c[c-]c(-n2cccn2)cc1F.[Y].[Zn]
InChIInChI=1S/C9H5F2N2.Y.Zn/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13;;/h1,3-6H;;/q-1;;
InChIKeyPERUKINYUFMVHQ-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]pyrazole
CID 153554155
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium
CID 21044150
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;platinum
CID 21044151
1-Phenylpyrazole;platinum
CID 21044154
Iridium;1-phenylpyrazole
CID 23526308
Iridium(3+);methanone;1-phenylpyrazole;cyanide
CID 23526309
Cobalt;1-phenylpyrazole
CID 23539882
CID 57701508
CID 57701508
N,N-dimethyl-3-pyrazol-1-ylbenzene-4-id-1-amine;platinum
CID 57729433

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc?
The IUPAC name of 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc (CID 20747767) is 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc.
What is the SMILES notation for 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc?
The canonical SMILES for 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc is Fc1c[c-]c(-n2cccn2)cc1F.[Y].[Zn].
What is the InChIKey of 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc?
The InChIKey is PERUKINYUFMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N2.Y.Zn/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13;;/h1,3-6H;;/q-1;;.
What are the key properties of 1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc?
1-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc has a molecular weight of 333.45 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-(3,4-difluorobenzene-6-id-1-yl)pyrazole;yttrium;zinc is sourced from PubChem (CID 20747767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).