azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone

C22H23F2N3O2 — CID 10126702

IUPACazetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone
SMILESO=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C22H23F2N3O2/c23-17-8-9-19(24)18(14-17)20-15-22(10-4-13-28,16-6-2-1-3-7-16)27(25-20)21(29)26-11-5-12-26/h1-3,6-9,14,28H,4-5,10-13,15H2
InChIKeyDWDYYEQYWVQJTD-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.87
Rot. Bonds5

About azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone

azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone (PubChem CID 10126702) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone
PubChem CID10126702
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Nameazetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone
SMILESO=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C22H23F2N3O2/c23-17-8-9-19(24)18(14-17)20-15-22(10-4-13-28,16-6-2-1-3-7-16)27(25-20)21(29)26-11-5-12-26/h1-3,6-9,14,28H,4-5,10-13,15H2
InChIKeyDWDYYEQYWVQJTD-UHFFFAOYSA-N
XLogP3.87
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-Difluorophenyl)-5-(hydroxymethyl)-n-methyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10193550
3-[1-(Azetidin-1-ylcarbonyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1h-pyrazol-5-yl]propan-1-amine
CID 10309662
3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901501
3-(2,5-difluorophenyl)-N-ethyl-5-(2-hydroxyethyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901500
3-(2,5-difluorophenyl)-N-ethyl-5-(4-hydroxybutyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901502
[3-(5-chloro-2-fluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 10127174
Azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 10149979
4-(2,5-difluorophenyl)-2-(3-hydroxypropyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10385470
1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 11717419
1-[(5R)-3-(2,5-difluorophenyl)-5-[(2S)-2-fluoro-3-hydroxypropyl]-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 57978468
3-(2,5-difluorophenyl)-5-(3-hydroxy-3-phenylpropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 59347711
3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
CID 59347720

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone (CID 10126702) is azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone is O=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1.
What is the InChIKey of azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone?
The InChIKey is DWDYYEQYWVQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-8-9-19(24)18(14-17)20-15-22(10-4-13-28,16-6-2-1-3-7-16)27(25-20)21(29)26-11-5-12-26/h1-3,6-9,14,28H,4-5,10-13,15H2.
What are the key properties of azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone?
azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone has a molecular weight of 399.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 10126702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).