4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide

C17H20N4O3 — CID 56779308

IUPAC4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCC2Cn2cccn2)cc1
InChIInChI=1S/C17H20N4O3/c18-17(23)13-4-6-15(7-5-13)24-12-16(22)21-10-1-3-14(21)11-20-9-2-8-19-20/h2,4-9,14H,1,3,10-12H2,(H2,18,23)
InChIKeyZXGCIUAGCSANGO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.05
Rot. Bonds6

About 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide

4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide (PubChem CID 56779308) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
PubChem CID56779308
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCC2Cn2cccn2)cc1
InChIInChI=1S/C17H20N4O3/c18-17(23)13-4-6-15(7-5-13)24-12-16(22)21-10-1-3-14(21)11-20-9-2-8-19-20/h2,4-9,14H,1,3,10-12H2,(H2,18,23)
InChIKeyZXGCIUAGCSANGO-UHFFFAOYSA-N
XLogP1.05
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95343979
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
4-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]benzamide
CID 8566227
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605
2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide
CID 167897213
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide
CID 71936127
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide (CID 56779308) is 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCCC2Cn2cccn2)cc1.
What is the InChIKey of 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide?
The InChIKey is ZXGCIUAGCSANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-17(23)13-4-6-15(7-5-13)24-12-16(22)21-10-1-3-14(21)11-20-9-2-8-19-20/h2,4-9,14H,1,3,10-12H2,(H2,18,23).
What are the key properties of 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide?
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 56779308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).