3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one

C18H23N3O2 — CID 153063185

IUPAC3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one
SMILESCC(C)c1cc(C(=O)CCc2ccc(OC3CNC3)cc2)n[nH]1
InChIInChI=1S/C18H23N3O2/c1-12(2)16-9-17(21-20-16)18(22)8-5-13-3-6-14(7-4-13)23-15-10-19-11-15/h3-4,6-7,9,12,15,19H,5,8,10-11H2,1-2H3,(H,20,21)
InChIKeyVJVPKEQZQPNVPX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds7

About 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one

3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 153063185) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one
PubChem CID153063185
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one
SMILESCC(C)c1cc(C(=O)CCc2ccc(OC3CNC3)cc2)n[nH]1
InChIInChI=1S/C18H23N3O2/c1-12(2)16-9-17(21-20-16)18(22)8-5-13-3-6-14(7-4-13)23-15-10-19-11-15/h3-4,6-7,9,12,15,19H,5,8,10-11H2,1-2H3,(H,20,21)
InChIKeyVJVPKEQZQPNVPX-UHFFFAOYSA-N
XLogP2.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119
3-[4-(azetidin-3-yloxy)phenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-one
CID 145023068
2-[4-(azetidin-3-yloxy)phenyl]ethanol
CID 107708914
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245043
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
CID 146884141
methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone
CID 170861053
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]propanoic acid
CID 117095179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one (CID 153063185) is 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one is CC(C)c1cc(C(=O)CCc2ccc(OC3CNC3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is VJVPKEQZQPNVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)16-9-17(21-20-16)18(22)8-5-13-3-6-14(7-4-13)23-15-10-19-11-15/h3-4,6-7,9,12,15,19H,5,8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one?
3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 153063185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).