3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

C25H26FN5O2 — CID 29022180

IUPAC3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2c2nonc2C)cc1F
InChIInChI=1S/C25H26FN5O2/c1-16-7-4-5-8-21(16)31-15-19(25(27-31)18-10-11-23(32-3)20(26)13-18)14-30-12-6-9-22(30)24-17(2)28-33-29-24/h4-5,7-8,10-11,13,15,22H,6,9,12,14H2,1-3H3/t22-/m0/s1
InChIKeyVHMUNXQGAXKXJM-QFIPXVFZSA-N
MW447.51 g/mol
LogP5.02
Rot. Bonds6

About 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 29022180) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID29022180
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2c2nonc2C)cc1F
InChIInChI=1S/C25H26FN5O2/c1-16-7-4-5-8-21(16)31-15-19(25(27-31)18-10-11-23(32-3)20(26)13-18)14-30-12-6-9-22(30)24-17(2)28-33-29-24/h4-5,7-8,10-11,13,15,22H,6,9,12,14H2,1-3H3/t22-/m0/s1
InChIKeyVHMUNXQGAXKXJM-QFIPXVFZSA-N
XLogP5.02
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole with MolForge

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Related Compounds

2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
CID 95889035
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
CID 74798849
3-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 45229661
(4S)-1-ethyl-4-[[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 42525507
6,7-dimethoxy-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95230978
3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 71137778
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 95122685
3-[(2S)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 25304764
4-ethyl-3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazole
CID 141089638

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (CID 29022180) is 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2c2nonc2C)cc1F.
What is the InChIKey of 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is VHMUNXQGAXKXJM-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-16-7-4-5-8-21(16)31-15-19(25(27-31)18-10-11-23(32-3)20(26)13-18)14-30-12-6-9-22(30)24-17(2)28-33-29-24/h4-5,7-8,10-11,13,15,22H,6,9,12,14H2,1-3H3/t22-/m0/s1.
What are the key properties of 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 447.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 29022180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).