2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide

C11H20N4O2 — CID 114255764

IUPAC2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CNCC(=O)NC(C)C)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)13-10(16)7-12-6-9-5-11(17-4)15(3)14-9/h5,8,12H,6-7H2,1-4H3,(H,13,16)
InChIKeyCYSDLWMIHKSMAJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.04
Rot. Bonds6

About 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide

2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 114255764) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID114255764
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CNCC(=O)NC(C)C)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)13-10(16)7-12-6-9-5-11(17-4)15(3)14-9/h5,8,12H,6-7H2,1-4H3,(H,13,16)
InChIKeyCYSDLWMIHKSMAJ-UHFFFAOYSA-N
XLogP0.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide (CID 114255764) is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide is COc1cc(CNCC(=O)NC(C)C)nn1C.
What is the InChIKey of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is CYSDLWMIHKSMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)13-10(16)7-12-6-9-5-11(17-4)15(3)14-9/h5,8,12H,6-7H2,1-4H3,(H,13,16).
What are the key properties of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide?
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 240.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114255764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).