2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide

C13H24N4O — CID 79578558

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-9(2)6-12(13(18)14-4)15-7-11-8-16-17(5)10(11)3/h8-9,12,15H,6-7H2,1-5H3,(H,14,18)
InChIKeyPIBILNPGIOGEGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.98
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide (PubChem CID 79578558) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
PubChem CID79578558
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-9(2)6-12(13(18)14-4)15-7-11-8-16-17(5)10(11)3/h8-9,12,15H,6-7H2,1-5H3,(H,14,18)
InChIKeyPIBILNPGIOGEGV-UHFFFAOYSA-N
XLogP0.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide (CID 79578558) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1cnn(C)c1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is PIBILNPGIOGEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)6-12(13(18)14-4)15-7-11-8-16-17(5)10(11)3/h8-9,12,15H,6-7H2,1-5H3,(H,14,18).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 79578558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).