methyl 7-(aminomethyl)-2H-indazole-3-carboxylate

C10H11N3O2 — CID 84778319

IUPACmethyl 7-(aminomethyl)-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(CN)cccc12
InChIInChI=1S/C10H11N3O2/c1-15-10(14)9-7-4-2-3-6(5-11)8(7)12-13-9/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyKKYAXCHPIPPQQR-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.81
Rot. Bonds2

About methyl 7-(aminomethyl)-2H-indazole-3-carboxylate

methyl 7-(aminomethyl)-2H-indazole-3-carboxylate (PubChem CID 84778319) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 7-(aminomethyl)-2H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(aminomethyl)-2H-indazole-3-carboxylate
PubChem CID84778319
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 7-(aminomethyl)-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(CN)cccc12
InChIInChI=1S/C10H11N3O2/c1-15-10(14)9-7-4-2-3-6(5-11)8(7)12-13-9/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyKKYAXCHPIPPQQR-UHFFFAOYSA-N
XLogP0.81
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 7-(aminomethyl)-2H-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

7-(aminomethyl)-2H-indazole-3-carboxamide
CID 119082894
methyl 2H-benzo[g]indazole-3-carboxylate
CID 141005512
dimethyl (E)-2-[(3-methoxycarbonyl-2H-indazol-7-yl)amino]but-2-enedioate
CID 168566839
(3-ethyl-2H-indazol-7-yl)methanamine
CID 105436214
(3-propan-2-yl-2H-indazol-7-yl)methanamine
CID 105443889
methyl 4-(aminomethyl)-1H-pyrazole-5-carboxylate
CID 70096824
[3-(trifluoromethyl)-2H-indazol-7-yl]methanamine
CID 105468296
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate
CID 59728955
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
CID 117302300
methyl 7-formyl-5-(2-phenylethynyl)-2H-indazole-3-carboxylate
CID 87575200

Frequently Asked Questions

What is the IUPAC name of methyl 7-(aminomethyl)-2H-indazole-3-carboxylate?
The IUPAC name of methyl 7-(aminomethyl)-2H-indazole-3-carboxylate (CID 84778319) is methyl 7-(aminomethyl)-2H-indazole-3-carboxylate.
What is the SMILES notation for methyl 7-(aminomethyl)-2H-indazole-3-carboxylate?
The canonical SMILES for methyl 7-(aminomethyl)-2H-indazole-3-carboxylate is COC(=O)c1[nH]nc2c(CN)cccc12.
What is the InChIKey of methyl 7-(aminomethyl)-2H-indazole-3-carboxylate?
The InChIKey is KKYAXCHPIPPQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-10(14)9-7-4-2-3-6(5-11)8(7)12-13-9/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of methyl 7-(aminomethyl)-2H-indazole-3-carboxylate?
methyl 7-(aminomethyl)-2H-indazole-3-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(aminomethyl)-2H-indazole-3-carboxylate is sourced from PubChem (CID 84778319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).