2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

C13H21N3O3 — CID 122569412

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-7-18-6-11(12)14-13(17)5-10-8(2)15-16-9(10)3/h11-12H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t11-,12-/m0/s1
InChIKeyLSRHDFFASRMTAJ-RYUDHWBXSA-N
MW267.33 g/mol
LogP0.49
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (PubChem CID 122569412) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
PubChem CID122569412
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-7-18-6-11(12)14-13(17)5-10-8(2)15-16-9(10)3/h11-12H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t11-,12-/m0/s1
InChIKeyLSRHDFFASRMTAJ-RYUDHWBXSA-N
XLogP0.49
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide (CID 122569412) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is CCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
The InChIKey is LSRHDFFASRMTAJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-12-7-18-6-11(12)14-13(17)5-10-8(2)15-16-9(10)3/h11-12H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t11-,12-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 122569412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).