N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

C21H19FN4O2 — CID 110606147

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCc3ccccc32)nn1-c1ccccc1F
InChIInChI=1S/C21H19FN4O2/c1-14-12-17(24-26(14)19-9-5-3-7-16(19)22)21(28)23-13-20(27)25-11-10-15-6-2-4-8-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,23,28)
InChIKeyDCDJKOWGRYQRHL-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110606147) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110606147
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCc3ccccc32)nn1-c1ccccc1F
InChIInChI=1S/C21H19FN4O2/c1-14-12-17(24-26(14)19-9-5-3-7-16(19)22)21(28)23-13-20(27)25-11-10-15-6-2-4-8-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,23,28)
InChIKeyDCDJKOWGRYQRHL-UHFFFAOYSA-N
XLogP2.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110615313
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606105
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26706083
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (CID 110606147) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCc3ccccc32)nn1-c1ccccc1F.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is DCDJKOWGRYQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14-12-17(24-26(14)19-9-5-3-7-16(19)22)21(28)23-13-20(27)25-11-10-15-6-2-4-8-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,23,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110606147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).