[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C20H35N5O — CID 45488805

IUPAC[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCC3)nn2C)C1
InChIInChI=1S/C20H35N5O/c1-5-24(6-2)14-13-22(3)16-9-10-18-17(15-16)19(21-23(18)4)20(26)25-11-7-8-12-25/h16H,5-15H2,1-4H3
InChIKeyJILADAYTACKJDA-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.79
Rot. Bonds7

About [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45488805) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID45488805
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCC3)nn2C)C1
InChIInChI=1S/C20H35N5O/c1-5-24(6-2)14-13-22(3)16-9-10-18-17(15-16)19(21-23(18)4)20(26)25-11-7-8-12-25/h16H,5-15H2,1-4H3
InChIKeyJILADAYTACKJDA-UHFFFAOYSA-N
XLogP1.79
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 45488805) is [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCC3)nn2C)C1.
What is the InChIKey of [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JILADAYTACKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-5-24(6-2)14-13-22(3)16-9-10-18-17(15-16)19(21-23(18)4)20(26)25-11-7-8-12-25/h16H,5-15H2,1-4H3.
What are the key properties of [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 361.53 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45488805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).