(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate

C18H20F2N2O2 — CID 163480609

IUPAC(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OC23CCC(C4=CCC=C42)C3(C)C)c(C(F)F)n1
InChIInChI=1S/C18H20F2N2O2/c1-17(2)12-7-8-18(17,13-6-4-5-10(12)13)24-16(23)11-9-22(3)21-14(11)15(19)20/h5-6,9,12,15H,4,7-8H2,1-3H3
InChIKeyLGKDRRKEHAIWLA-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.96
Rot. Bonds3

About (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate

(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate (PubChem CID 163480609) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
PubChem CID163480609
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OC23CCC(C4=CCC=C42)C3(C)C)c(C(F)F)n1
InChIInChI=1S/C18H20F2N2O2/c1-17(2)12-7-8-18(17,13-6-4-5-10(12)13)24-16(23)11-9-22(3)21-14(11)15(19)20/h5-6,9,12,15H,4,7-8H2,1-3H3
InChIKeyLGKDRRKEHAIWLA-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate?
The IUPAC name of (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate (CID 163480609) is (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate is Cn1cc(C(=O)OC23CCC(C4=CCC=C42)C3(C)C)c(C(F)F)n1.
What is the InChIKey of (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate?
The InChIKey is LGKDRRKEHAIWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-17(2)12-7-8-18(17,13-6-4-5-10(12)13)24-16(23)11-9-22(3)21-14(11)15(19)20/h5-6,9,12,15H,4,7-8H2,1-3H3.
What are the key properties of (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate?
(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 163480609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).