methyl 3-carbamoyl-1H-indazole-6-carboxylate

C10H9N3O3 — CID 166522746

IUPACmethyl 3-carbamoyl-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(N)=O)n[nH]c2c1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)5-2-3-6-7(4-5)12-13-8(6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyWMWXEYZQNQYBLA-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.45
Rot. Bonds2

About methyl 3-carbamoyl-1H-indazole-6-carboxylate

methyl 3-carbamoyl-1H-indazole-6-carboxylate (PubChem CID 166522746) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 3-carbamoyl-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoyl-1H-indazole-6-carboxylate
PubChem CID166522746
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 3-carbamoyl-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(N)=O)n[nH]c2c1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)5-2-3-6-7(4-5)12-13-8(6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyWMWXEYZQNQYBLA-UHFFFAOYSA-N
XLogP0.45
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxycarbonyl-1H-indazol-3-yl)prop-2-enoic acid
CID 169461146
methyl 6-(dimethylamino)-1H-indazole-3-carboxylate
CID 174716841
methyl 6-isocyano-1H-indazole-3-carboxylate
CID 123684717
dimethyl 2-[[2-(1H-indazole-3-carbonyloxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2534710
methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
5-N,5-N-dimethyl-1H-indazole-3,5-dicarboxamide
CID 145143152
methyl 3-tert-butyl-2H-indazole-5-carboxylate
CID 59436662
4-methyl-1H-indazole-3-carboxamide
CID 67513423
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyl-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-carbamoyl-1H-indazole-6-carboxylate (CID 166522746) is methyl 3-carbamoyl-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-carbamoyl-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-carbamoyl-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(C(N)=O)n[nH]c2c1.
What is the InChIKey of methyl 3-carbamoyl-1H-indazole-6-carboxylate?
The InChIKey is WMWXEYZQNQYBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10(15)5-2-3-6-7(4-5)12-13-8(6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of methyl 3-carbamoyl-1H-indazole-6-carboxylate?
methyl 3-carbamoyl-1H-indazole-6-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyl-1H-indazole-6-carboxylate is sourced from PubChem (CID 166522746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).