ethyl N-(1-methylindazol-6-yl)carbamate

C11H13N3O2 — CID 110460543

IUPACethyl N-(1-methylindazol-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)13-9-5-4-8-7-12-14(2)10(8)6-9/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyLUDIYILIFUXRII-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.14
Rot. Bonds2

About ethyl N-(1-methylindazol-6-yl)carbamate

ethyl N-(1-methylindazol-6-yl)carbamate (PubChem CID 110460543) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl N-(1-methylindazol-6-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methylindazol-6-yl)carbamate
PubChem CID110460543
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl N-(1-methylindazol-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)13-9-5-4-8-7-12-14(2)10(8)6-9/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyLUDIYILIFUXRII-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
1-Methyl-1H-indazole
CID 139456
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
1-methyl-1H-indazol-6-amine
CID 840433
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
2,3-dimethyl-2H-indazol-6-amine
CID 11542827
1-(5-Aminoindazol-1-yl)ethanone
CID 49831022
1-(1H-Indazol-1-yl)ethanone
CID 275547
Methyl indazole-1-carboxylate
CID 12285829
1H-Indazol-4-amine, 1-methyl-
CID 153838
1,3-Dimethyl-1H-indazol-6-amine
CID 19354457
1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate
CID 19800556

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylindazol-6-yl)carbamate?
The IUPAC name of ethyl N-(1-methylindazol-6-yl)carbamate (CID 110460543) is ethyl N-(1-methylindazol-6-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methylindazol-6-yl)carbamate?
The canonical SMILES for ethyl N-(1-methylindazol-6-yl)carbamate is CCOC(=O)Nc1ccc2cnn(C)c2c1.
What is the InChIKey of ethyl N-(1-methylindazol-6-yl)carbamate?
The InChIKey is LUDIYILIFUXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)13-9-5-4-8-7-12-14(2)10(8)6-9/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-(1-methylindazol-6-yl)carbamate?
ethyl N-(1-methylindazol-6-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methylindazol-6-yl)carbamate is sourced from PubChem (CID 110460543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).