1H-indazol-5-yl carbamate

C8H7N3O2 — CID 145404864

IUPAC1H-indazol-5-yl carbamate
SMILESNC(=O)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7N3O2/c9-8(12)13-6-1-2-7-5(3-6)4-10-11-7/h1-4H,(H2,9,12)(H,10,11)
InChIKeyOAJUSNUDZKVJMF-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.02
Rot. Bonds1

About 1H-indazol-5-yl carbamate

1H-indazol-5-yl carbamate (PubChem CID 145404864) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1H-indazol-5-yl carbamate.

Molecular Properties

Compound Name1H-indazol-5-yl carbamate
PubChem CID145404864
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1H-indazol-5-yl carbamate
SMILESNC(=O)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7N3O2/c9-8(12)13-6-1-2-7-5(3-6)4-10-11-7/h1-4H,(H2,9,12)(H,10,11)
InChIKeyOAJUSNUDZKVJMF-UHFFFAOYSA-N
XLogP1.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl carbamate?
The IUPAC name of 1H-indazol-5-yl carbamate (CID 145404864) is 1H-indazol-5-yl carbamate.
What is the SMILES notation for 1H-indazol-5-yl carbamate?
The canonical SMILES for 1H-indazol-5-yl carbamate is NC(=O)Oc1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazol-5-yl carbamate?
The InChIKey is OAJUSNUDZKVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8(12)13-6-1-2-7-5(3-6)4-10-11-7/h1-4H,(H2,9,12)(H,10,11).
What are the key properties of 1H-indazol-5-yl carbamate?
1H-indazol-5-yl carbamate has a molecular weight of 177.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl carbamate is sourced from PubChem (CID 145404864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).