N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide

C15H28N4O — CID 122560266

IUPACN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)NC(C)(C)CN(C)C)n1
InChIInChI=1S/C15H28N4O/c1-12-10-13(2)19(17-12)9-7-8-14(20)16-15(3,4)11-18(5)6/h10H,7-9,11H2,1-6H3,(H,16,20)
InChIKeyATXRMXBFZGBJEY-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.74
Rot. Bonds7

About N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide

N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 122560266) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID122560266
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)NC(C)(C)CN(C)C)n1
InChIInChI=1S/C15H28N4O/c1-12-10-13(2)19(17-12)9-7-8-14(20)16-15(3,4)11-18(5)6/h10H,7-9,11H2,1-6H3,(H,16,20)
InChIKeyATXRMXBFZGBJEY-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16782185
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide (CID 122560266) is N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(CCCC(=O)NC(C)(C)CN(C)C)n1.
What is the InChIKey of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is ATXRMXBFZGBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12-10-13(2)19(17-12)9-7-8-14(20)16-15(3,4)11-18(5)6/h10H,7-9,11H2,1-6H3,(H,16,20).
What are the key properties of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 280.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 122560266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).