[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C20H28N4O3 — CID 70755221

IUPAC[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCOCCN(C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)C[C@@H]1CO
InChIInChI=1S/C20H28N4O3/c1-22(8-9-27-2)11-17-12-23(13-18(17)15-25)20(26)16-10-21-24(14-16)19-6-4-3-5-7-19/h3-7,10,14,17-18,25H,8-9,11-13,15H2,1-2H3/t17-,18-/m1/s1
InChIKeyDGWDBEVZXCUTEK-QZTJIDSGSA-N
MW372.47 g/mol
LogP1.13
Rot. Bonds8

About [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 70755221) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID70755221
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCOCCN(C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)C[C@@H]1CO
InChIInChI=1S/C20H28N4O3/c1-22(8-9-27-2)11-17-12-23(13-18(17)15-25)20(26)16-10-21-24(14-16)19-6-4-3-5-7-19/h3-7,10,14,17-18,25H,8-9,11-13,15H2,1-2H3/t17-,18-/m1/s1
InChIKeyDGWDBEVZXCUTEK-QZTJIDSGSA-N
XLogP1.13
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-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

Related Compounds

[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53624118
[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 53626881
[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 72141772
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
1-(4-fluorophenyl)-4-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazole
CID 128984388
[1-(1-Ethyl-1H-pyrazole-4-carbonyl)-4-(pyridin-2-YL)pyrrolidin-3-YL]methanol
CID 110203386
(1,3-dimethylpyrazol-4-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124050382
3-{(3R*,4S*)-4-morpholin-4-yl-1-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl}propan-1-ol
CID 72922877
trans-1-[(1-benzyl-1H-pyrazol-4-yl)carbonyl]-4-ethoxypyrrolidin-3-ol
CID 91787596
(1-ethyl-5-methylpyrazol-4-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202782
(1-ethylpyrazol-4-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124050391
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 50958460

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 70755221) is [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is COCCN(C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is DGWDBEVZXCUTEK-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-22(8-9-27-2)11-17-12-23(13-18(17)15-25)20(26)16-10-21-24(14-16)19-6-4-3-5-7-19/h3-7,10,14,17-18,25H,8-9,11-13,15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 70755221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).