3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide

C20H23N3O — CID 53164087

IUPAC3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1
InChIInChI=1S/C20H23N3O/c1-13(2)23-19-8-6-5-7-17(19)18(22-23)12-21-20(24)16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,24)
InChIKeyHCZBRYKDYKYWBD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.16
Rot. Bonds4

About 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide

3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide (PubChem CID 53164087) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
PubChem CID53164087
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1
InChIInChI=1S/C20H23N3O/c1-13(2)23-19-8-6-5-7-17(19)18(22-23)12-21-20(24)16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,24)
InChIKeyHCZBRYKDYKYWBD-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
CID 53164094
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
2-(benzenesulfonamido)-N-[(1-propan-2-ylindazol-3-yl)methyl]acetamide
CID 53164078
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
3,5-dimethyl-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049524
N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72938319
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
CID 53014035
N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
CID 53164110

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide (CID 53164087) is 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide is Cc1cc(C)cc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The InChIKey is HCZBRYKDYKYWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13(2)23-19-8-6-5-7-17(19)18(22-23)12-21-20(24)16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,24).
What are the key properties of 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide is sourced from PubChem (CID 53164087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).