(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol

C12H14FN3O4S — CID 131896849

IUPAC(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C12H14FN3O4S/c1-7-12(4-11(20-7)9-2-3-14-15-9)21(18,19)16-5-8(13)10(17)6-16/h2-4,8,10,17H,5-6H2,1H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyLFLUNACSNMIVAN-PSASIEDQSA-N
MW315.33 g/mol
LogP0.68
Rot. Bonds3

About (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol

(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol (PubChem CID 131896849) has the molecular formula C12H14FN3O4S and a molecular weight of 315.33 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol
PubChem CID131896849
Molecular FormulaC12H14FN3O4S
Molecular Weight315.33 g/mol
Exact Mass315.07
IUPAC Name(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C12H14FN3O4S/c1-7-12(4-11(20-7)9-2-3-14-15-9)21(18,19)16-5-8(13)10(17)6-16/h2-4,8,10,17H,5-6H2,1H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyLFLUNACSNMIVAN-PSASIEDQSA-N
XLogP0.68
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
CID 72903632
1-{[5-(1H-Pyrazol-5-YL)furan-2-YL]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine
CID 50784639
2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
CID 53163433
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 92889888
N-[2-ethyl-2-(hydroxymethyl)butyl]-N,2-dimethyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 131917136
4-(1H-pyrazol-3-yl)-1-({5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-furyl}sulfonyl)piperidine
CID 132415512
1-({5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-furyl}sulfonyl)pyrrolidin-3-ol
CID 132417591
3-{5-[(2-isopropyl-2,5-dihydro-1H-pyrrol-1-yl)sulfonyl]-2-furyl}-5-(trifluoromethyl)-1H-pyrazole
CID 132425464
(3S)-3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine
CID 164631094
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
CID 164636850
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide
CID 164639448

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol (CID 131896849) is (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol?
The InChIKey is LFLUNACSNMIVAN-PSASIEDQSA-N. The full InChI is InChI=1S/C12H14FN3O4S/c1-7-12(4-11(20-7)9-2-3-14-15-9)21(18,19)16-5-8(13)10(17)6-16/h2-4,8,10,17H,5-6H2,1H3,(H,14,15)/t8-,10-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol?
(3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol has a molecular weight of 315.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 131896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).