(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide

C14H17F3N4O4S — CID 118741420

IUPAC(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1
InChIInChI=1S/C14H17F3N4O4S/c1-9(20-26(2,23)24)13(22)18-7-10-6-11(12-4-3-5-25-12)21(19-10)8-14(15,16)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)/t9-/m0/s1
InChIKeyUUSFPHPENIVCAC-VIFPVBQESA-N
MW394.38 g/mol
LogP1.26
Rot. Bonds7

About (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide

(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 118741420) has the molecular formula C14H17F3N4O4S and a molecular weight of 394.38 g/mol. Its IUPAC name is (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID118741420
Molecular FormulaC14H17F3N4O4S
Molecular Weight394.38 g/mol
Exact Mass394.09
IUPAC Name(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1
InChIInChI=1S/C14H17F3N4O4S/c1-9(20-26(2,23)24)13(22)18-7-10-6-11(12-4-3-5-25-12)21(19-10)8-14(15,16)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)/t9-/m0/s1
InChIKeyUUSFPHPENIVCAC-VIFPVBQESA-N
XLogP1.26
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 742286
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N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(methylethyl)carboxamide
CID 3148191
N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307236
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 844768
5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148201
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279647
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 24677266
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-(4-fluorophenoxy)ethyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 44089467

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide (CID 118741420) is (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide is C[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1.
What is the InChIKey of (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is UUSFPHPENIVCAC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N4O4S/c1-9(20-26(2,23)24)13(22)18-7-10-6-11(12-4-3-5-25-12)21(19-10)8-14(15,16)17/h3-6,9,20H,7-8H2,1-2H3,(H,18,22)/t9-/m0/s1.
What are the key properties of (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide?
(2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 394.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 118741420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).