4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

C13H22N4O — CID 54925355

IUPAC4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C13H22N4O/c1-14-8-4-7-13(18)16-11-5-3-6-12-10(11)9-15-17(12)2/h9,11,14H,3-8H2,1-2H3,(H,16,18)
InChIKeyHSYBCKOMJRQANY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds5

About 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (PubChem CID 54925355) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
PubChem CID54925355
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C13H22N4O/c1-14-8-4-7-13(18)16-11-5-3-6-12-10(11)9-15-17(12)2/h9,11,14H,3-8H2,1-2H3,(H,16,18)
InChIKeyHSYBCKOMJRQANY-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47025801
3-(6-methylindazol-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731502
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119730410
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293137

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (CID 54925355) is 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is CNCCCC(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The InChIKey is HSYBCKOMJRQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-8-4-7-13(18)16-11-5-3-6-12-10(11)9-15-17(12)2/h9,11,14H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is sourced from PubChem (CID 54925355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).