methyl 4-formamido-1H-indazole-3-carboxylate

C10H9N3O3 — CID 168652080

IUPACmethyl 4-formamido-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cccc(NC=O)c12
InChIInChI=1S/C10H9N3O3/c1-16-10(15)9-8-6(11-5-14)3-2-4-7(8)12-13-9/h2-5H,1H3,(H,11,14)(H,12,13)
InChIKeyAZZCPWCVNIOLJA-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.92
Rot. Bonds3

About methyl 4-formamido-1H-indazole-3-carboxylate

methyl 4-formamido-1H-indazole-3-carboxylate (PubChem CID 168652080) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 4-formamido-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-formamido-1H-indazole-3-carboxylate
PubChem CID168652080
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 4-formamido-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cccc(NC=O)c12
InChIInChI=1S/C10H9N3O3/c1-16-10(15)9-8-6(11-5-14)3-2-4-7(8)12-13-9/h2-5H,1H3,(H,11,14)(H,12,13)
InChIKeyAZZCPWCVNIOLJA-UHFFFAOYSA-N
XLogP0.92
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-6-formamidobenzoate
CID 177168055
methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
CID 168652236
ethenyl 4-acetyl-1H-indazole-3-carboxylate
CID 67480598
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
4-methyl-1H-indazole-3-carboxamide
CID 67513423
4-methoxy-1H-indazole-3-carbonyl chloride
CID 76846252
methyl 6-(dimethylamino)-1H-indazole-3-carboxylate
CID 174716841
N-(9H-carbazol-4-yl)formamide
CID 174728433
ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
CID 133062991
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746
methyl 4-bromo-3-formamidobenzoate
CID 122687075
1H-indazole-3,4-dicarboxylic acid
CID 24728738

Frequently Asked Questions

What is the IUPAC name of methyl 4-formamido-1H-indazole-3-carboxylate?
The IUPAC name of methyl 4-formamido-1H-indazole-3-carboxylate (CID 168652080) is methyl 4-formamido-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 4-formamido-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 4-formamido-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2cccc(NC=O)c12.
What is the InChIKey of methyl 4-formamido-1H-indazole-3-carboxylate?
The InChIKey is AZZCPWCVNIOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10(15)9-8-6(11-5-14)3-2-4-7(8)12-13-9/h2-5H,1H3,(H,11,14)(H,12,13).
What are the key properties of methyl 4-formamido-1H-indazole-3-carboxylate?
methyl 4-formamido-1H-indazole-3-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamido-1H-indazole-3-carboxylate is sourced from PubChem (CID 168652080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).