2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

C12H20N4O2 — CID 91829413

IUPAC2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)n1)CC1(C)COC1
InChIInChI=1S/C12H20N4O2/c1-12(8-18-9-12)7-15(2)6-11(17)13-10-4-5-16(3)14-10/h4-5H,6-9H2,1-3H3,(H,13,14,17)
InChIKeyOHLPXKHBXRPXNV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.33
Rot. Bonds5

About 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91829413) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91829413
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)n1)CC1(C)COC1
InChIInChI=1S/C12H20N4O2/c1-12(8-18-9-12)7-15(2)6-11(17)13-10-4-5-16(3)14-10/h4-5H,6-9H2,1-3H3,(H,13,14,17)
InChIKeyOHLPXKHBXRPXNV-UHFFFAOYSA-N
XLogP0.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 91829413) is 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is CN(CC(=O)Nc1ccn(C)n1)CC1(C)COC1.
What is the InChIKey of 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is OHLPXKHBXRPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(8-18-9-12)7-15(2)6-11(17)13-10-4-5-16(3)14-10/h4-5H,6-9H2,1-3H3,(H,13,14,17).
What are the key properties of 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91829413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).