4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide

C17H21N3O2 — CID 42906161

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,18,21)
InChIKeyHUILDKNNAWVMIC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.40
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42906161) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42906161
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,18,21)
InChIKeyHUILDKNNAWVMIC-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55723831
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 42906161) is 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC3CCCO3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HUILDKNNAWVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,18,21).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42906161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).