2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C12H19N3O2 — CID 19525706

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(2)15(14-9)8-12(16)13-7-11-4-3-5-17-11/h6,11H,3-5,7-8H2,1-2H3,(H,13,16)
InChIKeyKQQRGUBCECSIPE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 19525706) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID19525706
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(2)15(14-9)8-12(16)13-7-11-4-3-5-17-11/h6,11H,3-5,7-8H2,1-2H3,(H,13,16)
InChIKeyKQQRGUBCECSIPE-UHFFFAOYSA-N
XLogP0.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 19525706) is 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(C)n(CC(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KQQRGUBCECSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-10(2)15(14-9)8-12(16)13-7-11-4-3-5-17-11/h6,11H,3-5,7-8H2,1-2H3,(H,13,16).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 19525706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).