4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide

C12H20N4O — CID 119787790

IUPAC4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C12H20N4O/c1-13-7-3-6-11(17)15-10-5-2-4-9-8-14-16-12(9)10/h8,10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQWFYDDXRIPIVJT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds5

About 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide

4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide (PubChem CID 119787790) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
PubChem CID119787790
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C12H20N4O/c1-13-7-3-6-11(17)15-10-5-2-4-9-8-14-16-12(9)10/h8,10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQWFYDDXRIPIVJT-UHFFFAOYSA-N
XLogP0.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide (CID 119787790) is 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide is CNCCCC(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide?
The InChIKey is QWFYDDXRIPIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-7-3-6-11(17)15-10-5-2-4-9-8-14-16-12(9)10/h8,10,13H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide?
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide has a molecular weight of 236.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide is sourced from PubChem (CID 119787790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).