2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane

C15H25N3O — CID 143816495

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
SMILESC=C(C)C(=C)CNC(=O)Cc1c(C)n[nH]c1C.CC
InChIInChI=1S/C13H19N3O.C2H6/c1-8(2)9(3)7-14-13(17)6-12-10(4)15-16-11(12)5;1-2/h1,3,6-7H2,2,4-5H3,(H,14,17)(H,15,16);1-2H3
InChIKeyFPXOCHGQYRRSRN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane (PubChem CID 143816495) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
PubChem CID143816495
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
SMILESC=C(C)C(=C)CNC(=O)Cc1c(C)n[nH]c1C.CC
InChIInChI=1S/C13H19N3O.C2H6/c1-8(2)9(3)7-14-13(17)6-12-10(4)15-16-11(12)5;1-2/h1,3,6-7H2,2,4-5H3,(H,14,17)(H,15,16);1-2H3
InChIKeyFPXOCHGQYRRSRN-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
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CID 74250251
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
CID 102977021
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 102977100
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane (CID 143816495) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane is C=C(C)C(=C)CNC(=O)Cc1c(C)n[nH]c1C.CC.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane?
The InChIKey is FPXOCHGQYRRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C2H6/c1-8(2)9(3)7-14-13(17)6-12-10(4)15-16-11(12)5;1-2/h1,3,6-7H2,2,4-5H3,(H,14,17)(H,15,16);1-2H3.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane has a molecular weight of 263.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane is sourced from PubChem (CID 143816495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).