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

C16H24N2O2 — CID 58559184

IUPACethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CCC(C)(C)C2
InChIInChI=1S/C16H24N2O2/c1-4-20-15(19)14-12-7-8-16(2,3)9-13(12)18(17-14)10-11-5-6-11/h11H,4-10H2,1-3H3
InChIKeyZFQPZKYDQHKNBW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

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

ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate (PubChem CID 58559184) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
PubChem CID58559184
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CCC(C)(C)C2
InChIInChI=1S/C16H24N2O2/c1-4-20-15(19)14-12-7-8-16(2,3)9-13(12)18(17-14)10-11-5-6-11/h11H,4-10H2,1-3H3
InChIKeyZFQPZKYDQHKNBW-UHFFFAOYSA-N
XLogP2.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate (CID 58559184) is ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate is CCOC(=O)c1nn(CC2CC2)c2c1CCC(C)(C)C2.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
The InChIKey is ZFQPZKYDQHKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15(19)14-12-7-8-16(2,3)9-13(12)18(17-14)10-11-5-6-11/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylate is sourced from PubChem (CID 58559184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).