N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C21H17FN4O4S — CID 24677266

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1F
InChIInChI=1S/C21H17FN4O4S/c1-31(28,29)25-17-12-14(9-10-16(17)22)23-21(27)19-13-18(20-8-5-11-30-20)24-26(19)15-6-3-2-4-7-15/h2-13,25H,1H3,(H,23,27)
InChIKeyCWHXCFDMBZLLGK-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.90
Rot. Bonds6

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 24677266) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID24677266
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1F
InChIInChI=1S/C21H17FN4O4S/c1-31(28,29)25-17-12-14(9-10-16(17)22)23-21(27)19-13-18(20-8-5-11-30-20)24-26(19)15-6-3-2-4-7-15/h2-13,25H,1H3,(H,23,27)
InChIKeyCWHXCFDMBZLLGK-UHFFFAOYSA-N
XLogP3.90
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
CID 20906461
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-(4-fluorophenoxy)ethyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 44089467
N-Cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272481
N-Cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272484
N-Cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272485
(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
CID 118741384
(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide
CID 118741420
5-(furan-2-yl)-N-(3-methanesulfonamidophenyl)-1H-pyrazole-3-carboxamide
CID 38324441
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71797323
3-[1-(2,4-dinitrophenyl)-5-(2-furyl)pyrazol-3-yl]-N-phenyl-propanamide
CID 364294
[1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4317596
[1-(4-Fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5040799

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 24677266) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is CWHXCFDMBZLLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c1-31(28,29)25-17-12-14(9-10-16(17)22)23-21(27)19-13-18(20-8-5-11-30-20)24-26(19)15-6-3-2-4-7-15/h2-13,25H,1H3,(H,23,27).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24677266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).