7-amino-N-(2-methylpyrazol-3-yl)heptanamide

C11H20N4O — CID 119708048

IUPAC7-amino-N-(2-methylpyrazol-3-yl)heptanamide
SMILESCn1nccc1NC(=O)CCCCCCN
InChIInChI=1S/C11H20N4O/c1-15-10(7-9-13-15)14-11(16)6-4-2-3-5-8-12/h7,9H,2-6,8,12H2,1H3,(H,14,16)
InChIKeyZOJXPBJYZSPHBR-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds7

About 7-amino-N-(2-methylpyrazol-3-yl)heptanamide

7-amino-N-(2-methylpyrazol-3-yl)heptanamide (PubChem CID 119708048) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 7-amino-N-(2-methylpyrazol-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methylpyrazol-3-yl)heptanamide
PubChem CID119708048
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name7-amino-N-(2-methylpyrazol-3-yl)heptanamide
SMILESCn1nccc1NC(=O)CCCCCCN
InChIInChI=1S/C11H20N4O/c1-15-10(7-9-13-15)14-11(16)6-4-2-3-5-8-12/h7,9H,2-6,8,12H2,1H3,(H,14,16)
InChIKeyZOJXPBJYZSPHBR-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.27
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

4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
CID 110473898
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 80543787
2-(tert-butylamino)-N-(2-methylpyrazol-3-yl)acetamide
CID 78923711
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958469
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
N-(2-methylpyrazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62211474

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methylpyrazol-3-yl)heptanamide?
The IUPAC name of 7-amino-N-(2-methylpyrazol-3-yl)heptanamide (CID 119708048) is 7-amino-N-(2-methylpyrazol-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methylpyrazol-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methylpyrazol-3-yl)heptanamide is Cn1nccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-methylpyrazol-3-yl)heptanamide?
The InChIKey is ZOJXPBJYZSPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-10(7-9-13-15)14-11(16)6-4-2-3-5-8-12/h7,9H,2-6,8,12H2,1H3,(H,14,16).
What are the key properties of 7-amino-N-(2-methylpyrazol-3-yl)heptanamide?
7-amino-N-(2-methylpyrazol-3-yl)heptanamide has a molecular weight of 224.31 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methylpyrazol-3-yl)heptanamide is sourced from PubChem (CID 119708048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).