methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate

C15H15N3O2 — CID 58883428

IUPACmethyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C)c3ccccc23)n1C
InChIInChI=1S/C15H15N3O2/c1-17-12(8-9-13(17)15(19)20-3)14-10-6-4-5-7-11(10)18(2)16-14/h4-9H,1-3H3
InChIKeyOQUHKSWHURJUHO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.37
Rot. Bonds2

About methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate

methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate (PubChem CID 58883428) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
PubChem CID58883428
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C)c3ccccc23)n1C
InChIInChI=1S/C15H15N3O2/c1-17-12(8-9-13(17)15(19)20-3)14-10-6-4-5-7-11(10)18(2)16-14/h4-9H,1-3H3
InChIKeyOQUHKSWHURJUHO-UHFFFAOYSA-N
XLogP2.37
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate (CID 58883428) is methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate is COC(=O)c1ccc(-c2nn(C)c3ccccc23)n1C.
What is the InChIKey of methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate?
The InChIKey is OQUHKSWHURJUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-17-12(8-9-13(17)15(19)20-3)14-10-6-4-5-7-11(10)18(2)16-14/h4-9H,1-3H3.
What are the key properties of methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate?
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate is sourced from PubChem (CID 58883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).