ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate

C17H17N3O4 — CID 56850409

IUPACethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cc(C(=O)OC)nn3C)ccc2[nH]1
InChIInChI=1S/C17H17N3O4/c1-4-24-17(22)13-8-11-7-10(5-6-12(11)18-13)15-9-14(16(21)23-3)19-20(15)2/h5-9,18H,4H2,1-3H3
InChIKeyBUDKKUJVRGJAJW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.53
Rot. Bonds4

About ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate

ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate (PubChem CID 56850409) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate
PubChem CID56850409
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cc(C(=O)OC)nn3C)ccc2[nH]1
InChIInChI=1S/C17H17N3O4/c1-4-24-17(22)13-8-11-7-10(5-6-12(11)18-13)15-9-14(16(21)23-3)19-20(15)2/h5-9,18H,4H2,1-3H3
InChIKeyBUDKKUJVRGJAJW-UHFFFAOYSA-N
XLogP2.53
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate (CID 56850409) is ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3cc(C(=O)OC)nn3C)ccc2[nH]1.
What is the InChIKey of ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate?
The InChIKey is BUDKKUJVRGJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-4-24-17(22)13-8-11-7-10(5-6-12(11)18-13)15-9-14(16(21)23-3)19-20(15)2/h5-9,18H,4H2,1-3H3.
What are the key properties of ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate?
ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 56850409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).