2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide

C15H26N4O2 — CID 46996783

IUPAC2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide
SMILESCCCCn1ncc(C)c1NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C15H26N4O2/c1-6-7-8-19-14(11(4)9-16-19)18-15(21)13(10(2)3)17-12(5)20/h9-10,13H,6-8H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyDRLCEOCJCFLZJH-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.09
Rot. Bonds7

About 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide

2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide (PubChem CID 46996783) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide
PubChem CID46996783
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide
SMILESCCCCn1ncc(C)c1NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C15H26N4O2/c1-6-7-8-19-14(11(4)9-16-19)18-15(21)13(10(2)3)17-12(5)20/h9-10,13H,6-8H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyDRLCEOCJCFLZJH-UHFFFAOYSA-N
XLogP2.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide (CID 46996783) is 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide is CCCCn1ncc(C)c1NC(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide?
The InChIKey is DRLCEOCJCFLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-7-8-19-14(11(4)9-16-19)18-15(21)13(10(2)3)17-12(5)20/h9-10,13H,6-8H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide?
2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-butyl-4-methylpyrazol-5-yl)-3-methylbutanamide is sourced from PubChem (CID 46996783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).