(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide

C8H15N3O2 — CID 134126473

IUPAC(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide
SMILESCC1CC(NC(=O)[C@H](C)O)=NN1C
InChIInChI=1S/C8H15N3O2/c1-5-4-7(10-11(5)3)9-8(13)6(2)12/h5-6,12H,4H2,1-3H3,(H,9,10,13)/t5?,6-/m0/s1
InChIKeyODXIUSDIDGDOHH-GDVGLLTNSA-N
MW185.23 g/mol
LogP-0.48
Rot. Bonds1

About (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide

(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide (PubChem CID 134126473) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide
PubChem CID134126473
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide
SMILESCC1CC(NC(=O)[C@H](C)O)=NN1C
InChIInChI=1S/C8H15N3O2/c1-5-4-7(10-11(5)3)9-8(13)6(2)12/h5-6,12H,4H2,1-3H3,(H,9,10,13)/t5?,6-/m0/s1
InChIKeyODXIUSDIDGDOHH-GDVGLLTNSA-N
XLogP-0.48
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide (CID 134126473) is (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide is CC1CC(NC(=O)[C@H](C)O)=NN1C.
What is the InChIKey of (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide?
The InChIKey is ODXIUSDIDGDOHH-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5-4-7(10-11(5)3)9-8(13)6(2)12/h5-6,12H,4H2,1-3H3,(H,9,10,13)/t5?,6-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide?
(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide has a molecular weight of 185.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide is sourced from PubChem (CID 134126473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).