N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide

C13H21N3O3 — CID 91760979

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cn1nccc1C
InChIInChI=1S/C13H21N3O3/c1-3-19-12-9-18-7-5-11(12)15-13(17)8-16-10(2)4-6-14-16/h4,6,11-12H,3,5,7-9H2,1-2H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyMDJAIFQIVORPEH-VXGBXAGGSA-N
MW267.33 g/mol
LogP0.50
Rot. Bonds5

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 91760979) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID91760979
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cn1nccc1C
InChIInChI=1S/C13H21N3O3/c1-3-19-12-9-18-7-5-11(12)15-13(17)8-16-10(2)4-6-14-16/h4,6,11-12H,3,5,7-9H2,1-2H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyMDJAIFQIVORPEH-VXGBXAGGSA-N
XLogP0.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide (CID 91760979) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide is CCO[C@@H]1COCC[C@H]1NC(=O)Cn1nccc1C.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is MDJAIFQIVORPEH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-19-12-9-18-7-5-11(12)15-13(17)8-16-10(2)4-6-14-16/h4,6,11-12H,3,5,7-9H2,1-2H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91760979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).