N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C13H23N3O — CID 110695387

IUPACN-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)6-7-14-13(17)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17)
InChIKeyFJQCNUWWDVJJRF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.74
Rot. Bonds5

About N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 110695387) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID110695387
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)6-7-14-13(17)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17)
InChIKeyFJQCNUWWDVJJRF-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 132970684
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111446406
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 110695387) is N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is FJQCNUWWDVJJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)6-7-14-13(17)8-12-10(3)15-16(5)11(12)4/h9H,6-8H2,1-5H3,(H,14,17).
What are the key properties of N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 110695387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).