(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol

C12H12F3N3O4S — CID 164639894

IUPAC(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CC[C@H](O)C1
InChIInChI=1S/C12H12F3N3O4S/c13-12(14,15)10-5-8(16-17-10)9-1-2-11(22-9)23(20,21)18-4-3-7(19)6-18/h1-2,5,7,19H,3-4,6H2,(H,16,17)/t7-/m0/s1
InChIKeyOVVOSXKKCCHUIQ-ZETCQYMHSA-N
MW351.31 g/mol
LogP1.44
Rot. Bonds3

About (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol

(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol (PubChem CID 164639894) has the molecular formula C12H12F3N3O4S and a molecular weight of 351.31 g/mol. Its IUPAC name is (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol
PubChem CID164639894
Molecular FormulaC12H12F3N3O4S
Molecular Weight351.31 g/mol
Exact Mass351.05
IUPAC Name(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CC[C@H](O)C1
InChIInChI=1S/C12H12F3N3O4S/c13-12(14,15)10-5-8(16-17-10)9-1-2-11(22-9)23(20,21)18-4-3-7(19)6-18/h1-2,5,7,19H,3-4,6H2,(H,16,17)/t7-/m0/s1
InChIKeyOVVOSXKKCCHUIQ-ZETCQYMHSA-N
XLogP1.44
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol (CID 164639894) is (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol?
The InChIKey is OVVOSXKKCCHUIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12F3N3O4S/c13-12(14,15)10-5-8(16-17-10)9-1-2-11(22-9)23(20,21)18-4-3-7(19)6-18/h1-2,5,7,19H,3-4,6H2,(H,16,17)/t7-/m0/s1.
What are the key properties of (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol?
(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol has a molecular weight of 351.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 164639894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).