4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

C19H25N3O4S — CID 99633642

IUPAC4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESCOc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C19H25N3O4S/c1-25-19-7-3-2-5-17(19)18-6-4-10-22(18)27(23,24)16-13-20-21(14-16)15-8-11-26-12-9-15/h2-3,5,7,13-15,18H,4,6,8-12H2,1H3/t18-/m0/s1
InChIKeyLSHXARMFAWPWQX-SFHVURJKSA-N
MW391.49 g/mol
LogP2.77
Rot. Bonds5

About 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (PubChem CID 99633642) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
PubChem CID99633642
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESCOc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C19H25N3O4S/c1-25-19-7-3-2-5-17(19)18-6-4-10-22(18)27(23,24)16-13-20-21(14-16)15-8-11-26-12-9-15/h2-3,5,7,13-15,18H,4,6,8-12H2,1H3/t18-/m0/s1
InChIKeyLSHXARMFAWPWQX-SFHVURJKSA-N
XLogP2.77
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126776665
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126795936
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrazole
CID 92628820
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597852
2,2-dimethyl-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-3H-indole
CID 126825116
3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 71810300
3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 86886098
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The IUPAC name of 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (CID 99633642) is 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1.
What is the InChIKey of 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The InChIKey is LSHXARMFAWPWQX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-25-19-7-3-2-5-17(19)18-6-4-10-22(18)27(23,24)16-13-20-21(14-16)15-8-11-26-12-9-15/h2-3,5,7,13-15,18H,4,6,8-12H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole has a molecular weight of 391.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 99633642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).