3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol

C20H20FN3O — CID 126799650

IUPAC3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2[nH]ncc2CN2CC(O)(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H20FN3O/c1-14-2-4-15(5-3-14)19-16(10-22-23-19)11-24-12-20(25,13-24)17-6-8-18(21)9-7-17/h2-10,25H,11-13H2,1H3,(H,22,23)
InChIKeyPXZPFLKHKKJNHF-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.23
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol

3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol (PubChem CID 126799650) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
PubChem CID126799650
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2[nH]ncc2CN2CC(O)(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H20FN3O/c1-14-2-4-15(5-3-14)19-16(10-22-23-19)11-24-12-20(25,13-24)17-6-8-18(21)9-7-17/h2-10,25H,11-13H2,1H3,(H,22,23)
InChIKeyPXZPFLKHKKJNHF-UHFFFAOYSA-N
XLogP3.23
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 110882554
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
3-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]azetidin-3-ol
CID 100620709
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125464
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
[(3S)-3-fluoro-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 164638115
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
CID 91915686

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol (CID 126799650) is 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol is Cc1ccc(-c2[nH]ncc2CN2CC(O)(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol?
The InChIKey is PXZPFLKHKKJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-2-4-15(5-3-14)19-16(10-22-23-19)11-24-12-20(25,13-24)17-6-8-18(21)9-7-17/h2-10,25H,11-13H2,1H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol?
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol has a molecular weight of 337.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 126799650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).