(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide

C13H23N3O2 — CID 164636171

IUPAC(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide
SMILESCCc1nn(C)c(NC(=O)[C@H](CC)OC)c1CC
InChIInChI=1S/C13H23N3O2/c1-6-9-10(7-2)15-16(4)12(9)14-13(17)11(8-3)18-5/h11H,6-8H2,1-5H3,(H,14,17)/t11-/m0/s1
InChIKeyGXQXWPPQOTUDIM-NSHDSACASA-N
MW253.35 g/mol
LogP1.91
Rot. Bonds6

About (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide

(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide (PubChem CID 164636171) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide
PubChem CID164636171
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide
SMILESCCc1nn(C)c(NC(=O)[C@H](CC)OC)c1CC
InChIInChI=1S/C13H23N3O2/c1-6-9-10(7-2)15-16(4)12(9)14-13(17)11(8-3)18-5/h11H,6-8H2,1-5H3,(H,14,17)/t11-/m0/s1
InChIKeyGXQXWPPQOTUDIM-NSHDSACASA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide?
The IUPAC name of (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide (CID 164636171) is (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide.
What is the SMILES notation for (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide?
The canonical SMILES for (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide is CCc1nn(C)c(NC(=O)[C@H](CC)OC)c1CC.
What is the InChIKey of (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide?
The InChIKey is GXQXWPPQOTUDIM-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-9-10(7-2)15-16(4)12(9)14-13(17)11(8-3)18-5/h11H,6-8H2,1-5H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide?
(2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-methoxybutanamide is sourced from PubChem (CID 164636171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).