3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one

C19H20F3N3O — CID 165056622

IUPAC3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one
SMILESO=C(CCC1=CN=NC1)N1CC(c2ccc(C3(C(F)(F)F)CC3)cc2)C1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)18(7-8-18)16-4-2-14(3-5-16)15-11-25(12-15)17(26)6-1-13-9-23-24-10-13/h2-5,9,15H,1,6-8,10-12H2
InChIKeyQNNQSENLGWUWDY-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.34
Rot. Bonds5

About 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one

3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one (PubChem CID 165056622) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one
PubChem CID165056622
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one
SMILESO=C(CCC1=CN=NC1)N1CC(c2ccc(C3(C(F)(F)F)CC3)cc2)C1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)18(7-8-18)16-4-2-14(3-5-16)15-11-25(12-15)17(26)6-1-13-9-23-24-10-13/h2-5,9,15H,1,6-8,10-12H2
InChIKeyQNNQSENLGWUWDY-UHFFFAOYSA-N
XLogP4.34
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3H-pyrazol-4-yl)-1-[3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]azetidin-1-yl]propan-1-one
CID 165091773
(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745538
4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
CID 146000553
(3S)-1-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidine-1-carbonyl]pyrrolidine-3-carboxamide
CID 175974939
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]ethyl]-3,3-diphenylpiperidine-2-carbaldehyde
CID 174630006
1-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidin-1-yl]-2-methylsulfanylethanone
CID 57489479
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
CID 164953510
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
1-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 56863969
1-[3-(4-tert-butylphenyl)azetidin-1-yl]-2-methoxyethanone
CID 69029834

Frequently Asked Questions

What is the IUPAC name of 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one (CID 165056622) is 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one is O=C(CCC1=CN=NC1)N1CC(c2ccc(C3(C(F)(F)F)CC3)cc2)C1.
What is the InChIKey of 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one?
The InChIKey is QNNQSENLGWUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)18(7-8-18)16-4-2-14(3-5-16)15-11-25(12-15)17(26)6-1-13-9-23-24-10-13/h2-5,9,15H,1,6-8,10-12H2.
What are the key properties of 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one?
3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one has a molecular weight of 363.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-pyrazol-4-yl)-1-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 165056622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).