2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H19N5O3 — CID 86789594

IUPAC2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H19N5O3/c1-10-16(11(2)19(3)18-10)17-15(22)9-20-7-6-12-4-5-13(21(23)24)8-14(12)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,22)
InChIKeyVUIPALGTCUUJLM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.95
Rot. Bonds4

About 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86789594) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86789594
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H19N5O3/c1-10-16(11(2)19(3)18-10)17-15(22)9-20-7-6-12-4-5-13(21(23)24)8-14(12)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,22)
InChIKeyVUIPALGTCUUJLM-UHFFFAOYSA-N
XLogP1.95
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-nitro-2,3-dihydroindole
CID 86789587
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
2-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 60645859
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
4-(8-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxobutanoyl chloride
CID 87841343
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 34948033
2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7701837
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
3-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 9247878
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86789594) is 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VUIPALGTCUUJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-16(11(2)19(3)18-10)17-15(22)9-20-7-6-12-4-5-13(21(23)24)8-14(12)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,22).
What are the key properties of 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).