(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide

C14H24N4O2 — CID 46999276

IUPAC(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C14H24N4O2/c1-6-12(7-2)18-13(8-9(3)17-18)16-14(20)10(4)15-11(5)19/h8,10,12H,6-7H2,1-5H3,(H,15,19)(H,16,20)/t10-/m0/s1
InChIKeyMTWQKVPJMXODOH-JTQLQIEISA-N
MW280.37 g/mol
LogP2.02
Rot. Bonds6

About (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide

(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide (PubChem CID 46999276) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
PubChem CID46999276
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C14H24N4O2/c1-6-12(7-2)18-13(8-9(3)17-18)16-14(20)10(4)15-11(5)19/h8,10,12H,6-7H2,1-5H3,(H,15,19)(H,16,20)/t10-/m0/s1
InChIKeyMTWQKVPJMXODOH-JTQLQIEISA-N
XLogP2.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide (CID 46999276) is (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide is CCC(CC)n1nc(C)cc1NC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide?
The InChIKey is MTWQKVPJMXODOH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-12(7-2)18-13(8-9(3)17-18)16-14(20)10(4)15-11(5)19/h8,10,12H,6-7H2,1-5H3,(H,15,19)(H,16,20)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide?
(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 46999276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).