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

C13H11N3O2 — CID 1265037

IUPACmethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16)
InChIKeyOKFMGDVQFVYLLV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds2

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

methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (PubChem CID 1265037) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
PubChem CID1265037
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16)
InChIKeyOKFMGDVQFVYLLV-UHFFFAOYSA-N
XLogP2.34
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indole-3-carboxylate
CID 589098
Methyl indole-6-carboxylate
CID 639844
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 3833115
3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
Ethyl 3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene-5-carboxylate
CID 135432839
methyl 5H-pyrido[4,3-b]indole-3-carboxylate
CID 14771662
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1H-indazole-3-carboxylate
CID 2084400
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2540894
[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 5194406
3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 20109894
methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 71489159

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (CID 1265037) is methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is OKFMGDVQFVYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16).
What are the key properties of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 1265037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).