3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide

C14H25N3O — CID 110716795

IUPAC3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
SMILESCc1nn(CCNC(=O)CC(C)(C)C)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-7-15-13(18)9-14(4,5)6/h7-9H2,1-6H3,(H,15,18)
InChIKeyDYIYIDANZWXVHI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds4

About 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide (PubChem CID 110716795) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
PubChem CID110716795
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
SMILESCc1nn(CCNC(=O)CC(C)(C)C)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-7-15-13(18)9-14(4,5)6/h7-9H2,1-6H3,(H,15,18)
InChIKeyDYIYIDANZWXVHI-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
CID 62565900
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 131925877
2-ethylsulfanyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 118787349
(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 125166787
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 91794846
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 135112641
2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
CID 64810087

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide (CID 110716795) is 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide is Cc1nn(CCNC(=O)CC(C)(C)C)c(C)c1C.
What is the InChIKey of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide?
The InChIKey is DYIYIDANZWXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-11(2)16-17(12(10)3)8-7-15-13(18)9-14(4,5)6/h7-9H2,1-6H3,(H,15,18).
What are the key properties of 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide has a molecular weight of 251.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 110716795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).