3-(3,5-dimethylpyrazol-1-yl)butanamide

C9H15N3O — CID 130652830

IUPAC3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(N)=O)n1
InChIInChI=1S/C9H15N3O/c1-6-4-7(2)12(11-6)8(3)5-9(10)13/h4,8H,5H2,1-3H3,(H2,10,13)
InChIKeyMVWZLQXHPVKUCL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)butanamide

3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 130652830) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID130652830
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(N)=O)n1
InChIInChI=1S/C9H15N3O/c1-6-4-7(2)12(11-6)8(3)5-9(10)13/h4,8H,5H2,1-3H3,(H2,10,13)
InChIKeyMVWZLQXHPVKUCL-UHFFFAOYSA-N
XLogP0.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)butanethioamide
CID 60915402
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119169990
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-methylbutanoic acid
CID 119199177
2,2-bis(3,5-dimethylpyrazol-1-yl)ethanethioic S-acid
CID 101366355
(3R)-3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 129461506
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 130652830) is 3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(C(C)CC(N)=O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is MVWZLQXHPVKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-7(2)12(11-6)8(3)5-9(10)13/h4,8H,5H2,1-3H3,(H2,10,13).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)butanamide?
3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 130652830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).