methyl N-(3H-indazol-3-yl)carbamate

C9H9N3O2 — CID 139933956

IUPACmethyl N-(3H-indazol-3-yl)carbamate
SMILESCOC(=O)NC1N=Nc2ccccc21
InChIInChI=1S/C9H9N3O2/c1-14-9(13)10-8-6-4-2-3-5-7(6)11-12-8/h2-5,8H,1H3,(H,10,13)
InChIKeyBVPOVGHRFYOPEI-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.14
Rot. Bonds1

About methyl N-(3H-indazol-3-yl)carbamate

methyl N-(3H-indazol-3-yl)carbamate (PubChem CID 139933956) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl N-(3H-indazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3H-indazol-3-yl)carbamate
PubChem CID139933956
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl N-(3H-indazol-3-yl)carbamate
SMILESCOC(=O)NC1N=Nc2ccccc21
InChIInChI=1S/C9H9N3O2/c1-14-9(13)10-8-6-4-2-3-5-7(6)11-12-8/h2-5,8H,1H3,(H,10,13)
InChIKeyBVPOVGHRFYOPEI-UHFFFAOYSA-N
XLogP2.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3H-indazol-3-yl)carbamate?
The IUPAC name of methyl N-(3H-indazol-3-yl)carbamate (CID 139933956) is methyl N-(3H-indazol-3-yl)carbamate.
What is the SMILES notation for methyl N-(3H-indazol-3-yl)carbamate?
The canonical SMILES for methyl N-(3H-indazol-3-yl)carbamate is COC(=O)NC1N=Nc2ccccc21.
What is the InChIKey of methyl N-(3H-indazol-3-yl)carbamate?
The InChIKey is BVPOVGHRFYOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)10-8-6-4-2-3-5-7(6)11-12-8/h2-5,8H,1H3,(H,10,13).
What are the key properties of methyl N-(3H-indazol-3-yl)carbamate?
methyl N-(3H-indazol-3-yl)carbamate has a molecular weight of 191.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3H-indazol-3-yl)carbamate is sourced from PubChem (CID 139933956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).