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

C14H17N4O2- — CID 57473624

IUPAC3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
SMILESO=C([O-])c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17)/p-1
InChIKeyVKLFWCMSFDHFMY-UHFFFAOYSA-M
MW273.32 g/mol
LogP0.43
Rot. Bonds5

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

3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate (PubChem CID 57473624) has the molecular formula C14H17N4O2- and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
PubChem CID57473624
Molecular FormulaC14H17N4O2-
Molecular Weight273.32 g/mol
Exact Mass273.14
IUPAC Name3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
SMILESO=C([O-])c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17)/p-1
InChIKeyVKLFWCMSFDHFMY-UHFFFAOYSA-M
XLogP0.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine
CID 159162018
lithium;methane;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethyl)phenyl]methanamine
CID 161189462
2-[[[4-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1H-indazol-3-yl]amino]methyl]benzoic acid
CID 175800037
2-[[[4-[4-(cyclohexen-1-yl)-3-fluorophenyl]-1H-indazol-3-yl]amino]methyl]benzoic acid
CID 176071806
3-(2,2,2-trifluoroacetamido)-1H-indazole-6-carboxylic acid
CID 165757428
1-Methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid
CID 57444018
3-(4-Methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid methyl ester
CID 57444024
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 57444025
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylic acid
CID 57444026
3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid
CID 57473625
3-(2-Pyrrolidin-1-yl-ethylamino)-1H-indazole-6-carboxylic acid methyl ester
CID 57473626
3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
CID 59746322

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The IUPAC name of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate (CID 57473624) is 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate is O=C([O-])c1ccc2c(NCCN3CCCC3)n[nH]c2c1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
The InChIKey is VKLFWCMSFDHFMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17)/p-1.
What are the key properties of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate?
3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate has a molecular weight of 273.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate is sourced from PubChem (CID 57473624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).