5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

C22H24FN3O — CID 95855298

IUPAC5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(C)cc1CN1C[C@@H](c2ccc(F)cc2)[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C22H24FN3O/c1-15-3-8-22(27-2)17(11-15)12-26-13-19(16-4-6-18(23)7-5-16)20(14-26)21-9-10-24-25-21/h3-11,19-20H,12-14H2,1-2H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyWWWSRZPZPVSWII-VQTJNVASSA-N
MW365.45 g/mol
LogP4.25
Rot. Bonds5

About 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95855298) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
PubChem CID95855298
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(C)cc1CN1C[C@@H](c2ccc(F)cc2)[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C22H24FN3O/c1-15-3-8-22(27-2)17(11-15)12-26-13-19(16-4-6-18(23)7-5-16)20(14-26)21-9-10-24-25-21/h3-11,19-20H,12-14H2,1-2H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyWWWSRZPZPVSWII-VQTJNVASSA-N
XLogP4.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole with MolForge

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Related Compounds

3-(difluoromethyl)-5-[(3S,4R)-1-[(2-methoxy-5-methylphenyl)methyl]-4-phenylpyrrolidin-3-yl]-1H-pyrazole
CID 95850867
1-(4-fluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9036604
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
3-(difluoromethyl)-5-[(3S,4R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1H-pyrazole
CID 95854782
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (CID 95855298) is 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is COc1ccc(C)cc1CN1C[C@@H](c2ccc(F)cc2)[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is WWWSRZPZPVSWII-VQTJNVASSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15-3-8-22(27-2)17(11-15)12-26-13-19(16-4-6-18(23)7-5-16)20(14-26)21-9-10-24-25-21/h3-11,19-20H,12-14H2,1-2H3,(H,24,25)/t19-,20+/m0/s1.
What are the key properties of 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 365.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95855298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).