(7-methoxy-1-methylindazol-6-yl)carbamic acid

C10H11N3O3 — CID 174225914

IUPAC(7-methoxy-1-methylindazol-6-yl)carbamic acid
SMILESCOc1c(NC(=O)O)ccc2cnn(C)c12
InChIInChI=1S/C10H11N3O3/c1-13-8-6(5-11-13)3-4-7(9(8)16-2)12-10(14)15/h3-5,12H,1-2H3,(H,14,15)
InChIKeyOGJHBUXWLAYRRE-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.67
Rot. Bonds2

About (7-methoxy-1-methylindazol-6-yl)carbamic acid

(7-methoxy-1-methylindazol-6-yl)carbamic acid (PubChem CID 174225914) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (7-methoxy-1-methylindazol-6-yl)carbamic acid.

Molecular Properties

Compound Name(7-methoxy-1-methylindazol-6-yl)carbamic acid
PubChem CID174225914
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(7-methoxy-1-methylindazol-6-yl)carbamic acid
SMILESCOc1c(NC(=O)O)ccc2cnn(C)c12
InChIInChI=1S/C10H11N3O3/c1-13-8-6(5-11-13)3-4-7(9(8)16-2)12-10(14)15/h3-5,12H,1-2H3,(H,14,15)
InChIKeyOGJHBUXWLAYRRE-UHFFFAOYSA-N
XLogP1.67
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-methylindazol-6-yl)carbamic acid?
The IUPAC name of (7-methoxy-1-methylindazol-6-yl)carbamic acid (CID 174225914) is (7-methoxy-1-methylindazol-6-yl)carbamic acid.
What is the SMILES notation for (7-methoxy-1-methylindazol-6-yl)carbamic acid?
The canonical SMILES for (7-methoxy-1-methylindazol-6-yl)carbamic acid is COc1c(NC(=O)O)ccc2cnn(C)c12.
What is the InChIKey of (7-methoxy-1-methylindazol-6-yl)carbamic acid?
The InChIKey is OGJHBUXWLAYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-13-8-6(5-11-13)3-4-7(9(8)16-2)12-10(14)15/h3-5,12H,1-2H3,(H,14,15).
What are the key properties of (7-methoxy-1-methylindazol-6-yl)carbamic acid?
(7-methoxy-1-methylindazol-6-yl)carbamic acid has a molecular weight of 221.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methylindazol-6-yl)carbamic acid is sourced from PubChem (CID 174225914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).