1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone

C23H17F2N3O2 — CID 147848171

IUPAC1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(-c2ccn[nH]2)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C23H17F2N3O2/c24-19-5-3-16(10-20(19)25)14-30-23-6-4-17(21-7-9-27-28-21)12-18(23)22(29)11-15-2-1-8-26-13-15/h1-10,12-13H,11,14H2,(H,27,28)
InChIKeyHUHMYGZOGMUQHO-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.75
Rot. Bonds7

About 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone

1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone (PubChem CID 147848171) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone
PubChem CID147848171
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(-c2ccn[nH]2)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C23H17F2N3O2/c24-19-5-3-16(10-20(19)25)14-30-23-6-4-17(21-7-9-27-28-21)12-18(23)22(29)11-15-2-1-8-26-13-15/h1-10,12-13H,11,14H2,(H,27,28)
InChIKeyHUHMYGZOGMUQHO-UHFFFAOYSA-N
XLogP4.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
CID 158832739
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 166638943
1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
CID 104735973
(E)-3-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107692327
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone (CID 147848171) is 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cc(-c2ccn[nH]2)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone?
The InChIKey is HUHMYGZOGMUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-19-5-3-16(10-20(19)25)14-30-23-6-4-17(21-7-9-27-28-21)12-18(23)22(29)11-15-2-1-8-26-13-15/h1-10,12-13H,11,14H2,(H,27,28).
What are the key properties of 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone?
1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone has a molecular weight of 405.40 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-difluorophenyl)methoxy]-5-(1H-pyrazol-5-yl)phenyl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 147848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).