1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide

C20H17N5O2 — CID 40717451

IUPAC1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)c2ccccc21
InChIInChI=1S/C20H17N5O2/c1-24-13-17(16-5-2-3-6-18(16)24)20(27)23-22-19(26)14-7-9-15(10-8-14)25-12-4-11-21-25/h2-13H,1H3,(H,22,26)(H,23,27)
InChIKeyRAQMBQAHBGVORA-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.44
Rot. Bonds3

About 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide

1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide (PubChem CID 40717451) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
PubChem CID40717451
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)c2ccccc21
InChIInChI=1S/C20H17N5O2/c1-24-13-17(16-5-2-3-6-18(16)24)20(27)23-22-19(26)14-7-9-15(10-8-14)25-12-4-11-21-25/h2-13H,1H3,(H,22,26)(H,23,27)
InChIKeyRAQMBQAHBGVORA-UHFFFAOYSA-N
XLogP2.44
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide (CID 40717451) is 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccc(-n3cccn3)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide?
The InChIKey is RAQMBQAHBGVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-24-13-17(16-5-2-3-6-18(16)24)20(27)23-22-19(26)14-7-9-15(10-8-14)25-12-4-11-21-25/h2-13H,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide?
1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide has a molecular weight of 359.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(4-pyrazol-1-ylbenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 40717451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).