3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide

C17H21N3O2 — CID 118792986

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-16(11-20(2)19-12)13-4-3-5-14(10-13)17(21)18-15-6-8-22-9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,21)
InChIKeyKPCFOUSVEYMREK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.30
Rot. Bonds3

About 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide

3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide (PubChem CID 118792986) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
PubChem CID118792986
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-16(11-20(2)19-12)13-4-3-5-14(10-13)17(21)18-15-6-8-22-9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,21)
InChIKeyKPCFOUSVEYMREK-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide
CID 118769181
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-(oxan-4-yl)benzamide
CID 66898425
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125435137
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742
5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide
CID 46981813
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
CID 58269141

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide (CID 118792986) is 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide is Cc1nn(C)cc1-c1cccc(C(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide?
The InChIKey is KPCFOUSVEYMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(11-20(2)19-12)13-4-3-5-14(10-13)17(21)18-15-6-8-22-9-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide?
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 118792986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).