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

C14H26N4O — CID 82702281

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCCc1nn(CC(=O)NCCC(C)C)c(CC)c1N
InChIInChI=1S/C14H26N4O/c1-5-11-14(15)12(6-2)18(17-11)9-13(19)16-8-7-10(3)4/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyLFBJWAVXRJWQOP-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.75
Rot. Bonds7

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

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 82702281) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID82702281
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCCc1nn(CC(=O)NCCC(C)C)c(CC)c1N
InChIInChI=1S/C14H26N4O/c1-5-11-14(15)12(6-2)18(17-11)9-13(19)16-8-7-10(3)4/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyLFBJWAVXRJWQOP-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 82702213
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
3-(4-amino-3,5-diethylpyrazol-1-yl)-2-methylpropanamide
CID 82702680
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 55024544
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide
CID 82702599
1-[2-(3-methylbutylamino)-2-oxoethyl]-5-propyltriazole-4-carboxylic acid
CID 62053715
2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(3-methylbutyl)acetamide
CID 20884310
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 82702691
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide (CID 82702281) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide is CCc1nn(CC(=O)NCCC(C)C)c(CC)c1N.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is LFBJWAVXRJWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11-14(15)12(6-2)18(17-11)9-13(19)16-8-7-10(3)4/h10H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 82702281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).