[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone

C18H16F2N4O — CID 162385827

IUPAC[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(c2cccnc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-6-13(7-16(20)8-15)17-3-5-22-24(17)18(25)23-10-14(11-23)12-2-1-4-21-9-12/h1-2,4-9,14,17H,3,10-11H2/t17-/m0/s1
InChIKeyWRHRRWDKWMWCCM-KRWDZBQOSA-N
MW342.35 g/mol
LogP3.31
Rot. Bonds2

About [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone

[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 162385827) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID162385827
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(c2cccnc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-6-13(7-16(20)8-15)17-3-5-22-24(17)18(25)23-10-14(11-23)12-2-1-4-21-9-12/h1-2,4-9,14,17H,3,10-11H2/t17-/m0/s1
InChIKeyWRHRRWDKWMWCCM-KRWDZBQOSA-N
XLogP3.31
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(4-hydroxyphenoxy)azetidin-1-yl]methanone
CID 166753324
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone
CID 157175016
[3-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
azetidin-1-yl-[2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 166860963
6-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 166861204
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(5,6-dimethylpyrimidin-4-yl)oxyazetidin-1-yl]methanone
CID 162385799
[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
CID 150331013
[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl] methanesulfonate
CID 156785824
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[5-fluoro-2-(1,3-thiazol-5-yl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857557
5-chloro-2-[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-1,3-thiazole-4-carboxylic acid
CID 156785731

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 162385827) is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone is O=C(N1CC(c2cccnc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is WRHRRWDKWMWCCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-15-6-13(7-16(20)8-15)17-3-5-22-24(17)18(25)23-10-14(11-23)12-2-1-4-21-9-12/h1-2,4-9,14,17H,3,10-11H2/t17-/m0/s1.
What are the key properties of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone?
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 342.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 162385827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).