ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate

C14H13N3O2 — CID 4993275

IUPACethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-19-14(18)13-7-12(16-17-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyLFNIXVKUFFUZDY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.73
Rot. Bonds3

About ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate

ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (PubChem CID 4993275) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
PubChem CID4993275
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Nameethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C14H13N3O2/c1-2-19-14(18)13-7-12(16-17-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyLFNIXVKUFFUZDY-UHFFFAOYSA-N
XLogP2.73
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (CID 4993275) is ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is LFNIXVKUFFUZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-19-14(18)13-7-12(16-17-13)10-8-15-11-6-4-3-5-9(10)11/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 4993275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).