N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide

C17H22N4O — CID 119733243

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)CC3CCCN3)c2)n1
InChIInChI=1S/C17H22N4O/c1-12-9-13(2)21(20-12)16-7-3-5-15(10-16)19-17(22)11-14-6-4-8-18-14/h3,5,7,9-10,14,18H,4,6,8,11H2,1-2H3,(H,19,22)
InChIKeyGDQDXCNSSUXYSA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119733243) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119733243
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)CC3CCCN3)c2)n1
InChIInChI=1S/C17H22N4O/c1-12-9-13(2)21(20-12)16-7-3-5-15(10-16)19-17(22)11-14-6-4-8-18-14/h3,5,7,9-10,14,18H,4,6,8,11H2,1-2H3,(H,19,22)
InChIKeyGDQDXCNSSUXYSA-UHFFFAOYSA-N
XLogP2.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119733243) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide is Cc1cc(C)n(-c2cccc(NC(=O)CC3CCCN3)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is GDQDXCNSSUXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-9-13(2)21(20-12)16-7-3-5-15(10-16)19-17(22)11-14-6-4-8-18-14/h3,5,7,9-10,14,18H,4,6,8,11H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119733243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).