4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide

C14H26N4O2 — CID 51105363

IUPAC4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCc1c(C(C)C)nn(C)c1OC
InChIInChI=1S/C14H26N4O2/c1-10(2)13-11(14(20-5)18(4)17-13)9-16-8-6-7-12(19)15-3/h10,16H,6-9H2,1-5H3,(H,15,19)
InChIKeyCGRZTOWVQPSMFG-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.17
Rot. Bonds8

About 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide

4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide (PubChem CID 51105363) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide
PubChem CID51105363
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCc1c(C(C)C)nn(C)c1OC
InChIInChI=1S/C14H26N4O2/c1-10(2)13-11(14(20-5)18(4)17-13)9-16-8-6-7-12(19)15-3/h10,16H,6-9H2,1-5H3,(H,15,19)
InChIKeyCGRZTOWVQPSMFG-UHFFFAOYSA-N
XLogP1.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 51104967
1-[4-[(5-Methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104979
N-cyclohexyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105187
N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53539237
N-cyclopentyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 53542105
N-cyclopentyl-3-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53547191
1-tert-butyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 53557758
2-[(5-Methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 53572947
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-sulfanylpropanamide
CID 177680649
N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 51104735
1-[4-[(5-Methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104978
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide?
The IUPAC name of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide (CID 51105363) is 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide is CNC(=O)CCCNCc1c(C(C)C)nn(C)c1OC.
What is the InChIKey of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide?
The InChIKey is CGRZTOWVQPSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)13-11(14(20-5)18(4)17-13)9-16-8-6-7-12(19)15-3/h10,16H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide?
4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-N-methylbutanamide is sourced from PubChem (CID 51105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).