1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C17H22N4O — CID 70763159

IUPAC1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H22N4O/c1-12-16(13(2)20(3)19-12)6-7-17(22)21-10-15(11-21)14-5-4-8-18-9-14/h4-5,8-9,15H,6-7,10-11H2,1-3H3
InChIKeyDZPXRNASGDYXSW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 70763159) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID70763159
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H22N4O/c1-12-16(13(2)20(3)19-12)6-7-17(22)21-10-15(11-21)14-5-4-8-18-9-14/h4-5,8-9,15H,6-7,10-11H2,1-3H3
InChIKeyDZPXRNASGDYXSW-UHFFFAOYSA-N
XLogP1.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 70763159) is 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CC(c2cccnc2)C1.
What is the InChIKey of 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is DZPXRNASGDYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-16(13(2)20(3)19-12)6-7-17(22)21-10-15(11-21)14-5-4-8-18-9-14/h4-5,8-9,15H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-ylazetidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 70763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).