N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide

C17H20N4O2 — CID 18157119

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H20N4O2/c22-16(20-11-1-2-12-20)8-10-18-17(23)14-4-6-15(7-5-14)21-13-3-9-19-21/h3-7,9,13H,1-2,8,10-12H2,(H,18,23)
InChIKeyNCZMCYHPROLVJX-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.61
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide (PubChem CID 18157119) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
PubChem CID18157119
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H20N4O2/c22-16(20-11-1-2-12-20)8-10-18-17(23)14-4-6-15(7-5-14)21-13-3-9-19-21/h3-7,9,13H,1-2,8,10-12H2,(H,18,23)
InChIKeyNCZMCYHPROLVJX-UHFFFAOYSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide (CID 18157119) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide is O=C(NCCC(=O)N1CCCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is NCZMCYHPROLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(20-11-1-2-12-20)8-10-18-17(23)14-4-6-15(7-5-14)21-13-3-9-19-21/h3-7,9,13H,1-2,8,10-12H2,(H,18,23).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 18157119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).