methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate

C15H20N4O2 — CID 57473626

IUPACmethyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-21-15(20)11-4-5-12-13(10-11)17-18-14(12)16-6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3,(H2,16,17,18)
InChIKeyBVHVNUFVYHWCPX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate

methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate (PubChem CID 57473626) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
PubChem CID57473626
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-21-15(20)11-4-5-12-13(10-11)17-18-14(12)16-6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3,(H2,16,17,18)
InChIKeyBVHVNUFVYHWCPX-UHFFFAOYSA-N
XLogP1.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate 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 methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate (CID 57473626) is methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1.
What is the InChIKey of methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The InChIKey is BVHVNUFVYHWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-15(20)11-4-5-12-13(10-11)17-18-14(12)16-6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3,(H2,16,17,18).
What are the key properties of methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate is sourced from PubChem (CID 57473626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).