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

C15H15N5O — CID 135650752

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H15N5O/c1-11-6-7-18-20(11)10-15(21)19-17-9-12-8-16-14-5-3-2-4-13(12)14/h2-9,16H,10H2,1H3,(H,19,21)/b17-9+
InChIKeyAFMBTPSYKVJZQB-RQZCQDPDSA-N
MW281.32 g/mol
LogP1.82
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 135650752) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID135650752
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H15N5O/c1-11-6-7-18-20(11)10-15(21)19-17-9-12-8-16-14-5-3-2-4-13(12)14/h2-9,16H,10H2,1H3,(H,19,21)/b17-9+
InChIKeyAFMBTPSYKVJZQB-RQZCQDPDSA-N
XLogP1.82
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.82
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 N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 135650752) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is AFMBTPSYKVJZQB-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-6-7-18-20(11)10-15(21)19-17-9-12-8-16-14-5-3-2-4-13(12)14/h2-9,16H,10H2,1H3,(H,19,21)/b17-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 135650752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).