2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

C13H22N4O — CID 142262289

IUPAC2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)NC(=O)c1c2c(nn1CCN)CCCC2
InChIInChI=1S/C13H22N4O/c1-9(2)15-13(18)12-10-5-3-4-6-11(10)16-17(12)8-7-14/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyDREDAPSKUVLWBD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 142262289) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID142262289
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)NC(=O)c1c2c(nn1CCN)CCCC2
InChIInChI=1S/C13H22N4O/c1-9(2)15-13(18)12-10-5-3-4-6-11(10)16-17(12)8-7-14/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyDREDAPSKUVLWBD-UHFFFAOYSA-N
XLogP0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 142262289) is 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)NC(=O)c1c2c(nn1CCN)CCCC2.
What is the InChIKey of 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is DREDAPSKUVLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)15-13(18)12-10-5-3-4-6-11(10)16-17(12)8-7-14/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 142262289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).