N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide

C12H19N3O2 — CID 71808539

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-3-17-8-12(16)13-7-10-6-11(9-4-5-9)15(2)14-10/h6,9H,3-5,7-8H2,1-2H3,(H,13,16)
InChIKeyDMLMJSYWFTVCDM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide (PubChem CID 71808539) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide
PubChem CID71808539
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-3-17-8-12(16)13-7-10-6-11(9-4-5-9)15(2)14-10/h6,9H,3-5,7-8H2,1-2H3,(H,13,16)
InChIKeyDMLMJSYWFTVCDM-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide (CID 71808539) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cc(C2CC2)n(C)n1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The InChIKey is DMLMJSYWFTVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-8-12(16)13-7-10-6-11(9-4-5-9)15(2)14-10/h6,9H,3-5,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 71808539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).