N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide

C14H26N4O — CID 119822884

IUPACN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C14H26N4O/c1-14(2,3)10-11-9-12(18(5)17-11)16-13(19)7-6-8-15-4/h9,15H,6-8,10H2,1-5H3,(H,16,19)
InChIKeyUNJXEELLAMWXFJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.95
Rot. Bonds6

About N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide

N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide (PubChem CID 119822884) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide
PubChem CID119822884
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C14H26N4O/c1-14(2,3)10-11-9-12(18(5)17-11)16-13(19)7-6-8-15-4/h9,15H,6-8,10H2,1-5H3,(H,16,19)
InChIKeyUNJXEELLAMWXFJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide (CID 119822884) is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1cc(CC(C)(C)C)nn1C.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide?
The InChIKey is UNJXEELLAMWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)10-11-9-12(18(5)17-11)16-13(19)7-6-8-15-4/h9,15H,6-8,10H2,1-5H3,(H,16,19).
What are the key properties of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide?
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide has a molecular weight of 266.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119822884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).