3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide

C17H18N4O2 — CID 56762237

IUPAC3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2cnn(C)c2)c2ccccc12
InChIInChI=1S/C17H18N4O2/c1-12(22)15-11-21(16-6-4-3-5-14(15)16)8-7-17(23)19-13-9-18-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,23)
InChIKeyDSDYVUOEPNMKBS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.61
Rot. Bonds5

About 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide

3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 56762237) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID56762237
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2cnn(C)c2)c2ccccc12
InChIInChI=1S/C17H18N4O2/c1-12(22)15-11-21(16-6-4-3-5-14(15)16)8-7-17(23)19-13-9-18-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,23)
InChIKeyDSDYVUOEPNMKBS-UHFFFAOYSA-N
XLogP2.61
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 56762950
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide
CID 3858105
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
CID 97264147
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide (CID 56762237) is 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide is CC(=O)c1cn(CCC(=O)Nc2cnn(C)c2)c2ccccc12.
What is the InChIKey of 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is DSDYVUOEPNMKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)15-11-21(16-6-4-3-5-14(15)16)8-7-17(23)19-13-9-18-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,23).
What are the key properties of 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide?
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56762237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).