3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole

C10H10F4N4S2 — CID 139370353

IUPAC3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
SMILESCn1cc(SSc2cn(C)nc2C(F)F)c(C(F)F)n1
InChIInChI=1S/C10H10F4N4S2/c1-17-3-5(7(15-17)9(11)12)19-20-6-4-18(2)16-8(6)10(13)14/h3-4,9-10H,1-2H3
InChIKeyOGTPENRBCQTELB-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.83
Rot. Bonds5

About 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole

3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole (PubChem CID 139370353) has the molecular formula C10H10F4N4S2 and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
PubChem CID139370353
Molecular FormulaC10H10F4N4S2
Molecular Weight326.34 g/mol
Exact Mass326.03
IUPAC Name3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
SMILESCn1cc(SSc2cn(C)nc2C(F)F)c(C(F)F)n1
InChIInChI=1S/C10H10F4N4S2/c1-17-3-5(7(15-17)9(11)12)19-20-6-4-18(2)16-8(6)10(13)14/h3-4,9-10H,1-2H3
InChIKeyOGTPENRBCQTELB-UHFFFAOYSA-N
XLogP3.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole?
The IUPAC name of 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole (CID 139370353) is 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole is Cn1cc(SSc2cn(C)nc2C(F)F)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole?
The InChIKey is OGTPENRBCQTELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4S2/c1-17-3-5(7(15-17)9(11)12)19-20-6-4-18(2)16-8(6)10(13)14/h3-4,9-10H,1-2H3.
What are the key properties of 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole?
3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole has a molecular weight of 326.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole is sourced from PubChem (CID 139370353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).