2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide

C21H30N4O3 — CID 155953548

IUPAC2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCCOCn1nc(C)c(CC(=O)Nc2cccc(CN3CCC(O)C3)c2)c1C
InChIInChI=1S/C21H30N4O3/c1-4-28-14-25-16(3)20(15(2)23-25)11-21(27)22-18-7-5-6-17(10-18)12-24-9-8-19(26)13-24/h5-7,10,19,26H,4,8-9,11-14H2,1-3H3,(H,22,27)
InChIKeyBUEQIVZQZVZJNR-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.24
Rot. Bonds8

About 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide

2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 155953548) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide
PubChem CID155953548
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCCOCn1nc(C)c(CC(=O)Nc2cccc(CN3CCC(O)C3)c2)c1C
InChIInChI=1S/C21H30N4O3/c1-4-28-14-25-16(3)20(15(2)23-25)11-21(27)22-18-7-5-6-17(10-18)12-24-9-8-19(26)13-24/h5-7,10,19,26H,4,8-9,11-14H2,1-3H3,(H,22,27)
InChIKeyBUEQIVZQZVZJNR-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-imidazo[1,5-a]pyridin-7-ylacetamide
CID 167931531
N-[3-[(dimethylamino)methyl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 86932013
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 55654646
(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
CID 97244995
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 126812587
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19525218
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide (CID 155953548) is 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide is CCOCn1nc(C)c(CC(=O)Nc2cccc(CN3CCC(O)C3)c2)c1C.
What is the InChIKey of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is BUEQIVZQZVZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-28-14-25-16(3)20(15(2)23-25)11-21(27)22-18-7-5-6-17(10-18)12-24-9-8-19(26)13-24/h5-7,10,19,26H,4,8-9,11-14H2,1-3H3,(H,22,27).
What are the key properties of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide?
2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 155953548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).