3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol

C19H19FN2O2 — CID 29068891

IUPAC3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2cccc(-c3ccn(CCCO)n3)c2)cc1F
InChIInChI=1S/C19H19FN2O2/c1-24-19-7-6-15(13-17(19)20)14-4-2-5-16(12-14)18-8-10-22(21-18)9-3-11-23/h2,4-8,10,12-13,23H,3,9,11H2,1H3
InChIKeyYCUUWJLGNHVYQJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.75
Rot. Bonds6

About 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol

3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol (PubChem CID 29068891) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
PubChem CID29068891
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2cccc(-c3ccn(CCCO)n3)c2)cc1F
InChIInChI=1S/C19H19FN2O2/c1-24-19-7-6-15(13-17(19)20)14-4-2-5-16(12-14)18-8-10-22(21-18)9-3-11-23/h2,4-8,10,12-13,23H,3,9,11H2,1H3
InChIKeyYCUUWJLGNHVYQJ-UHFFFAOYSA-N
XLogP3.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
CID 23367300
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
5-[3-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]phenyl]pyrimidine
CID 29258824
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82357186
ethyl 5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxylate
CID 169400053
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935
(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
CID 28734619
5-[3-[1-(2-ethylsulfanylethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 56853431

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol (CID 29068891) is 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol is COc1ccc(-c2cccc(-c3ccn(CCCO)n3)c2)cc1F.
What is the InChIKey of 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol?
The InChIKey is YCUUWJLGNHVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-24-19-7-6-15(13-17(19)20)14-4-2-5-16(12-14)18-8-10-22(21-18)9-3-11-23/h2,4-8,10,12-13,23H,3,9,11H2,1H3.
What are the key properties of 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol?
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol has a molecular weight of 326.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 29068891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).