N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C19H26N4O2 — CID 111496283

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@@H]3CO)c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-13-6-8-16(9-7-13)23-15(3)19(14(2)21-23)20-18(25)11-22-10-4-5-17(22)12-24/h6-9,17,24H,4-5,10-12H2,1-3H3,(H,20,25)/t17-/m1/s1
InChIKeyLGOHLJSOSYGZFM-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.19
Rot. Bonds5

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 111496283) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID111496283
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@@H]3CO)c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-13-6-8-16(9-7-13)23-15(3)19(14(2)21-23)20-18(25)11-22-10-4-5-17(22)12-24/h6-9,17,24H,4-5,10-12H2,1-3H3,(H,20,25)/t17-/m1/s1
InChIKeyLGOHLJSOSYGZFM-QGZVFWFLSA-N
XLogP2.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717201
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 34160626
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17427218
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,4,6-triiodophenyl)acetamide
CID 79028646
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 119928363

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 111496283) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@@H]3CO)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is LGOHLJSOSYGZFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-6-8-16(9-7-13)23-15(3)19(14(2)21-23)20-18(25)11-22-10-4-5-17(22)12-24/h6-9,17,24H,4-5,10-12H2,1-3H3,(H,20,25)/t17-/m1/s1.
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111496283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).