(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone

C18H32N4O3 — CID 70758027

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2C[C@@H](CN(C)CCOC)[C@@H](CO)C2)c1C
InChIInChI=1S/C18H32N4O3/c1-6-22-14(3)17(13(2)19-22)18(24)21-10-15(16(11-21)12-23)9-20(4)7-8-25-5/h15-16,23H,6-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyNVLCHCQSCMSPCZ-HZPDHXFCSA-N
MW352.48 g/mol
LogP0.78
Rot. Bonds8

About (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 70758027) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID70758027
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2C[C@@H](CN(C)CCOC)[C@@H](CO)C2)c1C
InChIInChI=1S/C18H32N4O3/c1-6-22-14(3)17(13(2)19-22)18(24)21-10-15(16(11-21)12-23)9-20(4)7-8-25-5/h15-16,23H,6-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyNVLCHCQSCMSPCZ-HZPDHXFCSA-N
XLogP0.78
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70738191
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
CID 110127443
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)pyrrolidin-1-yl]ethanone
CID 56901425
1-(1-{3-[(3R*,4R*)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 70726420
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
4-{[3-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-1,3,5-trimethyl-1H-pyrazole
CID 90648316
1-(1-{3-[trans-3-ethoxy-4-hydroxypyrrolidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 91784454
1-{3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-3,4,5-trimethyl-1H-pyrazole
CID 91792141
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 107482667
N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 107483380
1-(1-Ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258364
3-Fluoro-1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258628

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 70758027) is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone is CCn1nc(C)c(C(=O)N2C[C@@H](CN(C)CCOC)[C@@H](CO)C2)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is NVLCHCQSCMSPCZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-6-22-14(3)17(13(2)19-22)18(24)21-10-15(16(11-21)12-23)9-20(4)7-8-25-5/h15-16,23H,6-12H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70758027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).