N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C21H21FN4O3S — CID 55662571

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3S/c1-15-19(14-24-26(15)18-8-6-17(22)7-9-18)21(27)23-11-13-30(28,29)25-12-10-16-4-2-3-5-20(16)25/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyWGGQKNVFKCBHFH-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55662571) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55662571
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3S/c1-15-19(14-24-26(15)18-8-6-17(22)7-9-18)21(27)23-11-13-30(28,29)25-12-10-16-4-2-3-5-20(16)25/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyWGGQKNVFKCBHFH-UHFFFAOYSA-N
XLogP2.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821757
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 39300753
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112819630
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 55662732
5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
CID 46455840
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111972419

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55662571) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is WGGQKNVFKCBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-15-19(14-24-26(15)18-8-6-17(22)7-9-18)21(27)23-11-13-30(28,29)25-12-10-16-4-2-3-5-20(16)25/h2-9,14H,10-13H2,1H3,(H,23,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55662571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).