(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

C14H23N3O2 — CID 72908206

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-6-10-9(2)11(16-15-10)12(18)17-7-13(3,4)14(5,19)8-17/h19H,6-8H2,1-5H3,(H,15,16)/t14-/m0/s1
InChIKeyWGHISCHJLUSTRE-AWEZNQCLSA-N
MW265.36 g/mol
LogP1.51
Rot. Bonds2

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (PubChem CID 72908206) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
PubChem CID72908206
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-6-10-9(2)11(16-15-10)12(18)17-7-13(3,4)14(5,19)8-17/h19H,6-8H2,1-5H3,(H,15,16)/t14-/m0/s1
InChIKeyWGHISCHJLUSTRE-AWEZNQCLSA-N
XLogP1.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (CID 72908206) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The InChIKey is WGHISCHJLUSTRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-10-9(2)11(16-15-10)12(18)17-7-13(3,4)14(5,19)8-17/h19H,6-8H2,1-5H3,(H,15,16)/t14-/m0/s1.
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 72908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).