2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C11H18N4O2 — CID 60735952

IUPAC2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCC(=O)NC(C(=O)NCc1cn[nH]c1)C(C)C
InChIInChI=1S/C11H18N4O2/c1-7(2)10(15-8(3)16)11(17)12-4-9-5-13-14-6-9/h5-7,10H,4H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyNBFPFYHASBDDEZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.19
Rot. Bonds5

About 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 60735952) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID60735952
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCC(=O)NC(C(=O)NCc1cn[nH]c1)C(C)C
InChIInChI=1S/C11H18N4O2/c1-7(2)10(15-8(3)16)11(17)12-4-9-5-13-14-6-9/h5-7,10H,4H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyNBFPFYHASBDDEZ-UHFFFAOYSA-N
XLogP0.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 60735952) is 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CC(=O)NC(C(=O)NCc1cn[nH]c1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is NBFPFYHASBDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)10(15-8(3)16)11(17)12-4-9-5-13-14-6-9/h5-7,10H,4H2,1-3H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 60735952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).