1H-indazol-3-yl(methyl)carbamic acid

C9H9N3O2 — CID 121452546

IUPAC1H-indazol-3-yl(methyl)carbamic acid
SMILESCN(C(=O)O)c1n[nH]c2ccccc12
InChIInChI=1S/C9H9N3O2/c1-12(9(13)14)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)(H,13,14)
InChIKeyXBYGGBRDDMJXQN-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.68
Rot. Bonds1

About 1H-indazol-3-yl(methyl)carbamic acid

1H-indazol-3-yl(methyl)carbamic acid (PubChem CID 121452546) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1H-indazol-3-yl(methyl)carbamic acid.

Molecular Properties

Compound Name1H-indazol-3-yl(methyl)carbamic acid
PubChem CID121452546
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1H-indazol-3-yl(methyl)carbamic acid
SMILESCN(C(=O)O)c1n[nH]c2ccccc12
InChIInChI=1S/C9H9N3O2/c1-12(9(13)14)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)(H,13,14)
InChIKeyXBYGGBRDDMJXQN-UHFFFAOYSA-N
XLogP1.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl(methyl)carbamic acid?
The IUPAC name of 1H-indazol-3-yl(methyl)carbamic acid (CID 121452546) is 1H-indazol-3-yl(methyl)carbamic acid.
What is the SMILES notation for 1H-indazol-3-yl(methyl)carbamic acid?
The canonical SMILES for 1H-indazol-3-yl(methyl)carbamic acid is CN(C(=O)O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl(methyl)carbamic acid?
The InChIKey is XBYGGBRDDMJXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12(9(13)14)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)(H,13,14).
What are the key properties of 1H-indazol-3-yl(methyl)carbamic acid?
1H-indazol-3-yl(methyl)carbamic acid has a molecular weight of 191.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl(methyl)carbamic acid is sourced from PubChem (CID 121452546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).