2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide

C19H23N5O2 — CID 131914311

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCCn2ncc3ccccc32)c1C
InChIInChI=1S/C19H23N5O2/c1-13-19(15(3)25)14(2)24(22-13)12-18(26)20-9-6-10-23-17-8-5-4-7-16(17)11-21-23/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,26)
InChIKeyGXHKYBYYFXOMFH-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.26
Rot. Bonds7

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide (PubChem CID 131914311) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
PubChem CID131914311
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCCn2ncc3ccccc32)c1C
InChIInChI=1S/C19H23N5O2/c1-13-19(15(3)25)14(2)24(22-13)12-18(26)20-9-6-10-23-17-8-5-4-7-16(17)11-21-23/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,26)
InChIKeyGXHKYBYYFXOMFH-UHFFFAOYSA-N
XLogP2.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
CID 77092983
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 77081443
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide (CID 131914311) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide is CC(=O)c1c(C)nn(CC(=O)NCCCn2ncc3ccccc32)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The InChIKey is GXHKYBYYFXOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-19(15(3)25)14(2)24(22-13)12-18(26)20-9-6-10-23-17-8-5-4-7-16(17)11-21-23/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,26).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide is sourced from PubChem (CID 131914311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).