2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide

C14H26N4O — CID 56714451

IUPAC2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N4O/c1-10(13(19)17(5)6)18(7)9-11-8-12(16-15-11)14(2,3)4/h8,10H,9H2,1-7H3,(H,15,16)
InChIKeyOJBRUYWAXIQGCA-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.62
Rot. Bonds4

About 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide

2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 56714451) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID56714451
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N4O/c1-10(13(19)17(5)6)18(7)9-11-8-12(16-15-11)14(2,3)4/h8,10H,9H2,1-7H3,(H,15,16)
InChIKeyOJBRUYWAXIQGCA-UHFFFAOYSA-N
XLogP1.62
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
(1S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 99934440
(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
CID 50949002
1-[4-[[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 56707439
cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
CID 77086189
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50982286
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95125941
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 56718362
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
CID 119071382
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide (CID 56714451) is 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(C)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is OJBRUYWAXIQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(13(19)17(5)6)18(7)9-11-8-12(16-15-11)14(2,3)4/h8,10H,9H2,1-7H3,(H,15,16).
What are the key properties of 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide?
2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 266.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 56714451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).