2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide

C14H24N4O2 — CID 56780299

IUPAC2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
SMILESCc1cnn(CC(C)NCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C14H24N4O2/c1-11-7-16-18(9-11)10-12(2)15-8-14(19)17-13-3-5-20-6-4-13/h7,9,12-13,15H,3-6,8,10H2,1-2H3,(H,17,19)
InChIKeyZMLLIWQMBHSERQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.46
Rot. Bonds6

About 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide

2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide (PubChem CID 56780299) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
PubChem CID56780299
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
SMILESCc1cnn(CC(C)NCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C14H24N4O2/c1-11-7-16-18(9-11)10-12(2)15-8-14(19)17-13-3-5-20-6-4-13/h7,9,12-13,15H,3-6,8,10H2,1-2H3,(H,17,19)
InChIKeyZMLLIWQMBHSERQ-UHFFFAOYSA-N
XLogP0.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide (CID 56780299) is 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide is Cc1cnn(CC(C)NCC(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is ZMLLIWQMBHSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-7-16-18(9-11)10-12(2)15-8-14(19)17-13-3-5-20-6-4-13/h7,9,12-13,15H,3-6,8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide?
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 56780299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).