1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide

C20H19N5O — CID 66547513

IUPAC1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCn1cc(-c2cc(C(=O)NN)n(Cc3ccccc3)n2)c2ccccc21
InChIInChI=1S/C20H19N5O/c1-24-13-16(15-9-5-6-10-18(15)24)17-11-19(20(26)22-21)25(23-17)12-14-7-3-2-4-8-14/h2-11,13H,12,21H2,1H3,(H,22,26)
InChIKeyQZWYNSRCXRSYKO-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.69
Rot. Bonds4

About 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide

1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide (PubChem CID 66547513) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide
PubChem CID66547513
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCn1cc(-c2cc(C(=O)NN)n(Cc3ccccc3)n2)c2ccccc21
InChIInChI=1S/C20H19N5O/c1-24-13-16(15-9-5-6-10-18(15)24)17-11-19(20(26)22-21)25(23-17)12-14-7-3-2-4-8-14/h2-11,13H,12,21H2,1H3,(H,22,26)
InChIKeyQZWYNSRCXRSYKO-UHFFFAOYSA-N
XLogP2.69
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide (CID 66547513) is 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide is Cn1cc(-c2cc(C(=O)NN)n(Cc3ccccc3)n2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide?
The InChIKey is QZWYNSRCXRSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24-13-16(15-9-5-6-10-18(15)24)17-11-19(20(26)22-21)25(23-17)12-14-7-3-2-4-8-14/h2-11,13H,12,21H2,1H3,(H,22,26).
What are the key properties of 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide?
1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide has a molecular weight of 345.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 66547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).