2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide

C13H14N6O — CID 59320322

IUPAC2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
SMILESCn1cc(-c2cnc3[nH]cc(CC(=O)NN)c3c2)cn1
InChIInChI=1S/C13H14N6O/c1-19-7-10(6-17-19)8-2-11-9(3-12(20)18-14)5-16-13(11)15-4-8/h2,4-7H,3,14H2,1H3,(H,15,16)(H,18,20)
InChIKeyFYUQDGPXYXJGLK-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.50
Rot. Bonds3

About 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide

2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide (PubChem CID 59320322) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
PubChem CID59320322
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
SMILESCn1cc(-c2cnc3[nH]cc(CC(=O)NN)c3c2)cn1
InChIInChI=1S/C13H14N6O/c1-19-7-10(6-17-19)8-2-11-9(3-12(20)18-14)5-16-13(11)15-4-8/h2,4-7H,3,14H2,1H3,(H,15,16)(H,18,20)
InChIKeyFYUQDGPXYXJGLK-UHFFFAOYSA-N
XLogP0.50
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
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 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide?
The IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide (CID 59320322) is 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide.
What is the SMILES notation for 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide?
The canonical SMILES for 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide is Cn1cc(-c2cnc3[nH]cc(CC(=O)NN)c3c2)cn1.
What is the InChIKey of 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide?
The InChIKey is FYUQDGPXYXJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-7-10(6-17-19)8-2-11-9(3-12(20)18-14)5-16-13(11)15-4-8/h2,4-7H,3,14H2,1H3,(H,15,16)(H,18,20).
What are the key properties of 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide?
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide has a molecular weight of 270.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide is sourced from PubChem (CID 59320322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).