3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate

C13H17N4O2- — CID 59746322

IUPAC3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12
InChIInChI=1S/C13H18N4O2/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19)/p-1
InChIKeyLFLLVOCVBIZSAW-UHFFFAOYSA-M
MW261.31 g/mol
LogP-0.08
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate

3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate (PubChem CID 59746322) has the molecular formula C13H17N4O2- and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
PubChem CID59746322
Molecular FormulaC13H17N4O2-
Molecular Weight261.31 g/mol
Exact Mass261.14
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12
InChIInChI=1S/C13H18N4O2/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19)/p-1
InChIKeyLFLLVOCVBIZSAW-UHFFFAOYSA-M
XLogP-0.08
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-((5-acetyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl) amino)benzoate
CID 121365398
methyl 3-[[5-[(3-aminocyclohexanecarbonyl)amino]-1H-indazol-3-yl]amino]benzoate
CID 145954619
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
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
methyl 2-fluoro-4-[[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]methyl]benzoate
CID 97056224
3-(2,2,2-trifluoroacetamido)-1H-indazole-6-carboxylic acid
CID 165757428
3-amino-1H-indazole-6-carboxylic Acid
CID 11600762
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate (CID 59746322) is 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate is CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The InChIKey is LFLLVOCVBIZSAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N4O2/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19)/p-1.
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate has a molecular weight of 261.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate is sourced from PubChem (CID 59746322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).