methyl 6-(dimethylamino)-1H-indazole-3-carboxylate

C11H13N3O2 — CID 174716841

IUPACmethyl 6-(dimethylamino)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cc(N(C)C)ccc12
InChIInChI=1S/C11H13N3O2/c1-14(2)7-4-5-8-9(6-7)12-13-10(8)11(15)16-3/h4-6H,1-3H3,(H,12,13)
InChIKeyJVYDZLZMQZTTSE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.42
Rot. Bonds2

About methyl 6-(dimethylamino)-1H-indazole-3-carboxylate

methyl 6-(dimethylamino)-1H-indazole-3-carboxylate (PubChem CID 174716841) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-(dimethylamino)-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)-1H-indazole-3-carboxylate
PubChem CID174716841
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 6-(dimethylamino)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cc(N(C)C)ccc12
InChIInChI=1S/C11H13N3O2/c1-14(2)7-4-5-8-9(6-7)12-13-10(8)11(15)16-3/h4-6H,1-3H3,(H,12,13)
InChIKeyJVYDZLZMQZTTSE-UHFFFAOYSA-N
XLogP1.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(dimethylamino)-1H-indazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-isocyano-1H-indazole-3-carboxylate
CID 123684717
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746
3-iodo-6-isocyano-2H-indazole;methyl 6-isocyano-1H-indazole-3-carboxylate
CID 157245347
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
6-fluoro-1H-indole-2,3-dione;methyl 6-fluoro-1H-indazole-3-carboxylate
CID 159968381
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
methyl 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carboxylate;dihydrochloride
CID 23134641
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
6-methylsulfonyl-1H-indazole-3-carboxylic acid
CID 170653132
methyl 4-formamido-1H-indazole-3-carboxylate
CID 168652080

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylamino)-1H-indazole-3-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)-1H-indazole-3-carboxylate (CID 174716841) is methyl 6-(dimethylamino)-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2cc(N(C)C)ccc12.
What is the InChIKey of methyl 6-(dimethylamino)-1H-indazole-3-carboxylate?
The InChIKey is JVYDZLZMQZTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)7-4-5-8-9(6-7)12-13-10(8)11(15)16-3/h4-6H,1-3H3,(H,12,13).
What are the key properties of methyl 6-(dimethylamino)-1H-indazole-3-carboxylate?
methyl 6-(dimethylamino)-1H-indazole-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)-1H-indazole-3-carboxylate is sourced from PubChem (CID 174716841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).