2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C16H17N5O — CID 135656300

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H17N5O/c1-11-7-12(2)21(20-11)10-16(22)19-18-9-13-8-17-15-6-4-3-5-14(13)15/h3-9,17H,10H2,1-2H3,(H,19,22)/b18-9+
InChIKeyKKAMARSUFGDYFU-GIJQJNRQSA-N
MW295.35 g/mol
LogP2.13
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 135656300) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID135656300
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H17N5O/c1-11-7-12(2)21(20-11)10-16(22)19-18-9-13-8-17-15-6-4-3-5-14(13)15/h3-9,17H,10H2,1-2H3,(H,19,22)/b18-9+
InChIKeyKKAMARSUFGDYFU-GIJQJNRQSA-N
XLogP2.13
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 135656300) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is KKAMARSUFGDYFU-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-7-12(2)21(20-11)10-16(22)19-18-9-13-8-17-15-6-4-3-5-14(13)15/h3-9,17H,10H2,1-2H3,(H,19,22)/b18-9+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 135656300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).