N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

C16H17N5O — CID 5412209

IUPACN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCn1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C16H17N5O/c1-3-21-10-12(11(2)20-21)8-18-19-16(22)14-9-17-15-7-5-4-6-13(14)15/h4-10,17H,3H2,1-2H3,(H,19,22)/b18-8-
InChIKeyNMZWKMMFPQEHBT-LSCVHKIXSA-N
MW295.35 g/mol
LogP2.46
Rot. Bonds4

About N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5412209) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5412209
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCn1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c(C)n1
InChIInChI=1S/C16H17N5O/c1-3-21-10-12(11(2)20-21)8-18-19-16(22)14-9-17-15-7-5-4-6-13(14)15/h4-10,17H,3H2,1-2H3,(H,19,22)/b18-8-
InChIKeyNMZWKMMFPQEHBT-LSCVHKIXSA-N
XLogP2.46
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 ≤ 52.46
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-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (CID 5412209) is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is CCn1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c(C)n1.
What is the InChIKey of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is NMZWKMMFPQEHBT-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-21-10-12(11(2)20-21)8-18-19-16(22)14-9-17-15-7-5-4-6-13(14)15/h4-10,17H,3H2,1-2H3,(H,19,22)/b18-8-.
What are the key properties of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5412209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).