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

C19H25N3O — CID 146092340

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
SMILESCCC1(c2ccccc2)CN(C(=O)C(C)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C19H25N3O/c1-5-19(16-9-7-6-8-10-16)11-22(12-19)18(23)13(2)17-14(3)20-21-15(17)4/h6-10,13H,5,11-12H2,1-4H3,(H,20,21)
InChIKeyPBPXXNFVFJWUNI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.32
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one (PubChem CID 146092340) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
PubChem CID146092340
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
SMILESCCC1(c2ccccc2)CN(C(=O)C(C)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C19H25N3O/c1-5-19(16-9-7-6-8-10-16)11-22(12-19)18(23)13(2)17-14(3)20-21-15(17)4/h6-10,13H,5,11-12H2,1-4H3,(H,20,21)
InChIKeyPBPXXNFVFJWUNI-UHFFFAOYSA-N
XLogP3.32
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one (CID 146092340) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one is CCC1(c2ccccc2)CN(C(=O)C(C)c2c(C)n[nH]c2C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one?
The InChIKey is PBPXXNFVFJWUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-19(16-9-7-6-8-10-16)11-22(12-19)18(23)13(2)17-14(3)20-21-15(17)4/h6-10,13H,5,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 146092340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).