N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

C17H19N5O — CID 6875058

IUPACN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1C
InChIInChI=1S/C17H19N5O/c1-4-22-12(3)14(11(2)21-22)10-19-20-17(23)15-9-18-16-8-6-5-7-13(15)16/h5-10,18H,4H2,1-3H3,(H,20,23)/b19-10+
InChIKeyZOTYKHWGDRVZAA-VXLYETTFSA-N
MW309.37 g/mol
LogP2.77
Rot. Bonds4

About N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6875058) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6875058
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1C
InChIInChI=1S/C17H19N5O/c1-4-22-12(3)14(11(2)21-22)10-19-20-17(23)15-9-18-16-8-6-5-7-13(15)16/h5-10,18H,4H2,1-3H3,(H,20,23)/b19-10+
InChIKeyZOTYKHWGDRVZAA-VXLYETTFSA-N
XLogP2.77
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.77
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)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (CID 6875058) is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is CCn1nc(C)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1C.
What is the InChIKey of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is ZOTYKHWGDRVZAA-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-22-12(3)14(11(2)21-22)10-19-20-17(23)15-9-18-16-8-6-5-7-13(15)16/h5-10,18H,4H2,1-3H3,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).