5-(aminomethyl)-1-methylindazole-3-carboxylic acid

C10H11N3O2 — CID 84778324

IUPAC5-(aminomethyl)-1-methylindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cc(CN)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(12-13)10(14)15/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyRZZBATHJITUJRO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.73
Rot. Bonds2

About 5-(aminomethyl)-1-methylindazole-3-carboxylic acid

5-(aminomethyl)-1-methylindazole-3-carboxylic acid (PubChem CID 84778324) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylindazole-3-carboxylic acid
PubChem CID84778324
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(aminomethyl)-1-methylindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cc(CN)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(12-13)10(14)15/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyRZZBATHJITUJRO-UHFFFAOYSA-N
XLogP0.73
TPSA81.14 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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid
CID 170083056
2-amino-3-(3-chloro-1-methylindazol-5-yl)propanoic acid
CID 117387142
3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
CID 105491060
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
(2S)-2-amino-3-(3-cyano-1-methylindazol-5-yl)propanoic acid
CID 146315179
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methylindazole-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1-methylindazole-3-carboxylic acid (CID 84778324) is 5-(aminomethyl)-1-methylindazole-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1-methylindazole-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1-methylindazole-3-carboxylic acid is Cn1nc(C(=O)O)c2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-methylindazole-3-carboxylic acid?
The InChIKey is RZZBATHJITUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-8-3-2-6(5-11)4-7(8)9(12-13)10(14)15/h2-4H,5,11H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-1-methylindazole-3-carboxylic acid?
5-(aminomethyl)-1-methylindazole-3-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methylindazole-3-carboxylic acid is sourced from PubChem (CID 84778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).