4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide

C16H19N5O2 — CID 100820937

IUPAC4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide
SMILESCn1ccc(NC(=O)CCCOc2nn(C)c3ccccc23)n1
InChIInChI=1S/C16H19N5O2/c1-20-10-9-14(18-20)17-15(22)8-5-11-23-16-12-6-3-4-7-13(12)21(2)19-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,17,18,22)
InChIKeyOAOGLYYDQDALFS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.10
Rot. Bonds6

About 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide

4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide (PubChem CID 100820937) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide
PubChem CID100820937
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide
SMILESCn1ccc(NC(=O)CCCOc2nn(C)c3ccccc23)n1
InChIInChI=1S/C16H19N5O2/c1-20-10-9-14(18-20)17-15(22)8-5-11-23-16-12-6-3-4-7-13(12)21(2)19-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,17,18,22)
InChIKeyOAOGLYYDQDALFS-UHFFFAOYSA-N
XLogP2.10
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide (CID 100820937) is 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide is Cn1ccc(NC(=O)CCCOc2nn(C)c3ccccc23)n1.
What is the InChIKey of 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide?
The InChIKey is OAOGLYYDQDALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-10-9-14(18-20)17-15(22)8-5-11-23-16-12-6-3-4-7-13(12)21(2)19-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,17,18,22).
What are the key properties of 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide?
4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide has a molecular weight of 313.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 100820937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).