ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate

C15H13N3O3 — CID 86668145

IUPACethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3[nH]cc(C=O)c3c2)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-17-18(8-10)12-3-4-14-13(5-12)11(9-19)6-16-14/h3-9,16H,2H2,1H3
InChIKeyJGBYGLAQSAOJJN-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.34
Rot. Bonds4

About ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate

ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate (PubChem CID 86668145) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate
PubChem CID86668145
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3[nH]cc(C=O)c3c2)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-17-18(8-10)12-3-4-14-13(5-12)11(9-19)6-16-14/h3-9,16H,2H2,1H3
InChIKeyJGBYGLAQSAOJJN-UHFFFAOYSA-N
XLogP2.34
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate
CID 166063201
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
CID 83972080
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
CID 166063219
ethyl 1-(2-amino-4-methylphenyl)pyrazole-4-carboxylate
CID 81498302
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 1-(2-amino-5-bromophenyl)pyrazole-4-carboxylate
CID 81498620
ethyl 3-(3-methylbut-2-enoyl)-1H-indole-5-carboxylate
CID 170857381
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate (CID 86668145) is ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3[nH]cc(C=O)c3c2)c1.
What is the InChIKey of ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate?
The InChIKey is JGBYGLAQSAOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-15(20)10-7-17-18(8-10)12-3-4-14-13(5-12)11(9-19)6-16-14/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate?
ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 86668145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).