ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate

C16H20N4O2 — CID 82593396

IUPACethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccn2)c2c1C(CN)CCC2
InChIInChI=1S/C16H20N4O2/c1-2-22-16(21)15-14-11(10-17)6-5-7-12(14)20(19-15)13-8-3-4-9-18-13/h3-4,8-9,11H,2,5-7,10,17H2,1H3
InChIKeyFGUPCLQOEPXPCU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.82
Rot. Bonds4

About ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate

ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate (PubChem CID 82593396) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
PubChem CID82593396
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccn2)c2c1C(CN)CCC2
InChIInChI=1S/C16H20N4O2/c1-2-22-16(21)15-14-11(10-17)6-5-7-12(14)20(19-15)13-8-3-4-9-18-13/h3-4,8-9,11H,2,5-7,10,17H2,1H3
InChIKeyFGUPCLQOEPXPCU-UHFFFAOYSA-N
XLogP1.82
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The IUPAC name of ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate (CID 82593396) is ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The canonical SMILES for ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccn2)c2c1C(CN)CCC2.
What is the InChIKey of ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate?
The InChIKey is FGUPCLQOEPXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-16(21)15-14-11(10-17)6-5-7-12(14)20(19-15)13-8-3-4-9-18-13/h3-4,8-9,11H,2,5-7,10,17H2,1H3.
What are the key properties of ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate?
ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate is sourced from PubChem (CID 82593396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).