2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

C12H20N4O2 — CID 55225833

IUPAC2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O2/c1-15(8-10-3-6-18-7-4-10)12(17)9-16-5-2-11(13)14-16/h2,5,10H,3-4,6-9H2,1H3,(H2,13,14)
InChIKeyFANXJOKXKMONPR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.35
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 55225833) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID55225833
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O2/c1-15(8-10-3-6-18-7-4-10)12(17)9-16-5-2-11(13)14-16/h2,5,10H,3-4,6-9H2,1H3,(H2,13,14)
InChIKeyFANXJOKXKMONPR-UHFFFAOYSA-N
XLogP0.35
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 55225833) is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is FANXJOKXKMONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(8-10-3-6-18-7-4-10)12(17)9-16-5-2-11(13)14-16/h2,5,10H,3-4,6-9H2,1H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 55225833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).