methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate

C16H18N6O5 — CID 168561807

About methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168561807) has the molecular formula C16H18N6O5 and a molecular weight of 374.36 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
• PubChem CID: 168561807
• Molecular Formula: C16H18N6O5
• Molecular Weight: 374.36 g/mol
• Exact Mass: 374.13
• IUPAC Name: methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
• SMILES: COC(=O)C1=C(Nc2cc(-n3cnnn3)ccc2OC)C(=O)N(CCO)C1
• InChI: InChI=1S/C16H18N6O5/c1-26-13-4-3-10(22-9-17-19-20-22)7-12(13)18-14-11(16(25)27-2)8-21(5-6-23)15(14)24/h3-4,7,9,18,23H,5-6,8H2,1-2H3
• InChIKey: GIWUZJCYULHBOR-UHFFFAOYSA-N
• XLogP: -0.66
• TPSA: 131.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.36
LogP ≤ 5	-0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?

The IUPAC name of methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate (CID 168561807) is methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate.

What is the SMILES notation for methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?

The canonical SMILES for methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cc(-n3cnnn3)ccc2OC)C(=O)N(CCO)C1.

What is the InChIKey of methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?

The InChIKey is GIWUZJCYULHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O5/c1-26-13-4-3-10(22-9-17-19-20-22)7-12(13)18-14-11(16(25)27-2)8-21(5-6-23)15(14)24/h3-4,7,9,18,23H,5-6,8H2,1-2H3.

What are the key properties of methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?

methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 374.36 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-(2-hydroxyethyl)-4-[2-methoxy-5-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168561807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).