ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate

C14H22N2O2 — CID 58559073

IUPACethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H22N2O2/c1-5-16-11-9-14(3,4)8-7-10(11)12(15-16)13(17)18-6-2/h5-9H2,1-4H3
InChIKeyQMZPTTLXOMMCHG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds3

About ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate

ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate (PubChem CID 58559073) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
PubChem CID58559073
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H22N2O2/c1-5-16-11-9-14(3,4)8-7-10(11)12(15-16)13(17)18-6-2/h5-9H2,1-4H3
InChIKeyQMZPTTLXOMMCHG-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate (CID 58559073) is ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate is CCOC(=O)c1nn(CC)c2c1CCC(C)(C)C2.
What is the InChIKey of ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The InChIKey is QMZPTTLXOMMCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16-11-9-14(3,4)8-7-10(11)12(15-16)13(17)18-6-2/h5-9H2,1-4H3.
What are the key properties of ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate is sourced from PubChem (CID 58559073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).