4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide

C26H30N4O3 — CID 55902810

IUPAC4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(-n2nccc2C)cc1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C26H30N4O3/c1-3-23(22-8-4-5-9-24(22)33-18-25(31)29-16-6-7-17-29)28-26(32)20-10-12-21(13-11-20)30-19(2)14-15-27-30/h4-5,8-15,23H,3,6-7,16-18H2,1-2H3,(H,28,32)
InChIKeyAUGDIYVWLKVDBM-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.06
Rot. Bonds8

About 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide

4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide (PubChem CID 55902810) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
PubChem CID55902810
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(-n2nccc2C)cc1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C26H30N4O3/c1-3-23(22-8-4-5-9-24(22)33-18-25(31)29-16-6-7-17-29)28-26(32)20-10-12-21(13-11-20)30-19(2)14-15-27-30/h4-5,8-15,23H,3,6-7,16-18H2,1-2H3,(H,28,32)
InChIKeyAUGDIYVWLKVDBM-UHFFFAOYSA-N
XLogP4.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 55957964
3-methyl-4-nitro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902300
1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide
CID 55902558
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]prop-2-enamide
CID 60534874
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902299
2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
CID 55958988
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide (CID 55902810) is 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide is CCC(NC(=O)c1ccc(-n2nccc2C)cc1)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The InChIKey is AUGDIYVWLKVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-23(22-8-4-5-9-24(22)33-18-25(31)29-16-6-7-17-29)28-26(32)20-10-12-21(13-11-20)30-19(2)14-15-27-30/h4-5,8-15,23H,3,6-7,16-18H2,1-2H3,(H,28,32).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide is sourced from PubChem (CID 55902810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).