2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide

C12H20N4O2 — CID 86287249

IUPAC2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESCCCC(NC(C)=O)C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C12H20N4O2/c1-4-5-11(14-9(2)17)12(18)16(3)8-10-6-7-13-15-10/h6-7,11H,4-5,8H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyMFJIWCWZWIGQDX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.67
Rot. Bonds6

About 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide

2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide (PubChem CID 86287249) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
PubChem CID86287249
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESCCCC(NC(C)=O)C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C12H20N4O2/c1-4-5-11(14-9(2)17)12(18)16(3)8-10-6-7-13-15-10/h6-7,11H,4-5,8H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyMFJIWCWZWIGQDX-UHFFFAOYSA-N
XLogP0.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The IUPAC name of 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide (CID 86287249) is 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The canonical SMILES for 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide is CCCC(NC(C)=O)C(=O)N(C)Cc1ccn[nH]1.
What is the InChIKey of 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The InChIKey is MFJIWCWZWIGQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-5-11(14-9(2)17)12(18)16(3)8-10-6-7-13-15-10/h6-7,11H,4-5,8H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide?
2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide has a molecular weight of 252.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 86287249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).