ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate

C22H19FN4O3 — CID 112816924

IUPACethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C22H19FN4O3/c1-3-30-22(29)19-12-15-11-14(4-9-18(15)24-19)21(28)25-20-10-13(2)26-27(20)17-7-5-16(23)6-8-17/h4-12,24H,3H2,1-2H3,(H,25,28)
InChIKeyDSKQMRMLWPMMMK-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.23
Rot. Bonds5

About ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate

ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate (PubChem CID 112816924) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
PubChem CID112816924
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Nameethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C22H19FN4O3/c1-3-30-22(29)19-12-15-11-14(4-9-18(15)24-19)21(28)25-20-10-13(2)26-27(20)17-7-5-16(23)6-8-17/h4-12,24H,3H2,1-2H3,(H,25,28)
InChIKeyDSKQMRMLWPMMMK-UHFFFAOYSA-N
XLogP4.23
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
CID 35439173
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate (CID 112816924) is ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate?
The InChIKey is DSKQMRMLWPMMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-3-30-22(29)19-12-15-11-14(4-9-18(15)24-19)21(28)25-20-10-13(2)26-27(20)17-7-5-16(23)6-8-17/h4-12,24H,3H2,1-2H3,(H,25,28).
What are the key properties of ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate?
ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate has a molecular weight of 406.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 112816924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).