(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate

C15H22N2O2 — CID 78928370

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate
SMILESCc1cc(C(=O)OC2CC3CCC2(C)C3(C)C)n[nH]1
InChIInChI=1S/C15H22N2O2/c1-9-7-11(17-16-9)13(18)19-12-8-10-5-6-15(12,4)14(10,2)3/h7,10,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyOZVPCDGWRPDLLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.09
Rot. Bonds2

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate (PubChem CID 78928370) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate
PubChem CID78928370
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate
SMILESCc1cc(C(=O)OC2CC3CCC2(C)C3(C)C)n[nH]1
InChIInChI=1S/C15H22N2O2/c1-9-7-11(17-16-9)13(18)19-12-8-10-5-6-15(12,4)14(10,2)3/h7,10,12H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyOZVPCDGWRPDLLW-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate (CID 78928370) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate is Cc1cc(C(=O)OC2CC3CCC2(C)C3(C)C)n[nH]1.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate?
The InChIKey is OZVPCDGWRPDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-7-11(17-16-9)13(18)19-12-8-10-5-6-15(12,4)14(10,2)3/h7,10,12H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 5-methyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 78928370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).