3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one

C18H23N3O — CID 146089571

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CC(C)C1c1ccccc1
InChIInChI=1S/C18H23N3O/c1-12-11-21(18(12)15-7-5-4-6-8-15)17(22)10-9-16-13(2)19-20-14(16)3/h4-8,12,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyCKOYJSIRLUIFST-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.18
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one (PubChem CID 146089571) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one
PubChem CID146089571
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CC(C)C1c1ccccc1
InChIInChI=1S/C18H23N3O/c1-12-11-21(18(12)15-7-5-4-6-8-15)17(22)10-9-16-13(2)19-20-14(16)3/h4-8,12,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyCKOYJSIRLUIFST-UHFFFAOYSA-N
XLogP3.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
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4-[3-(3-methyl-2-phenylazetidin-1-yl)-3-oxopropyl]benzoic acid
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1-[(1S,5R)-3-benzoyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 72845664
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
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1-[(4aR,8aS)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
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3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
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3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 97435702
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 128989723

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one (CID 146089571) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one is Cc1n[nH]c(C)c1CCC(=O)N1CC(C)C1c1ccccc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one?
The InChIKey is CKOYJSIRLUIFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-11-21(18(12)15-7-5-4-6-8-15)17(22)10-9-16-13(2)19-20-14(16)3/h4-8,12,18H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 146089571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).