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

C19H21N3O — CID 53164094

IUPAC3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c1-13(2)22-18-10-5-4-9-16(18)17(21-22)12-20-19(23)15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyJZVWSVOIILJTQH-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.86
Rot. Bonds4

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

3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide (PubChem CID 53164094) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
PubChem CID53164094
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c1-13(2)22-18-10-5-4-9-16(18)17(21-22)12-20-19(23)15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeyJZVWSVOIILJTQH-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
CID 53164087
N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72938319
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
3-methyl-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049522
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide (CID 53164094) is 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
The InChIKey is JZVWSVOIILJTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(2)22-18-10-5-4-9-16(18)17(21-22)12-20-19(23)15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23).
What are the key properties of 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide?
3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide is sourced from PubChem (CID 53164094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).