3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide

C21H20N4O2 — CID 148515048

IUPAC3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)16-3-1-2-14(10-16)11-17-8-9-25(21(17)27)19-6-4-15(5-7-19)18-12-23-24-13-18/h1-7,10,12-13,17H,8-9,11H2,(H2,22,26)(H,23,24)
InChIKeyMNGQKWFIXNBCQP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.77
Rot. Bonds5

About 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide

3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 148515048) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID148515048
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)16-3-1-2-14(10-16)11-17-8-9-25(21(17)27)19-6-4-15(5-7-19)18-12-23-24-13-18/h1-7,10,12-13,17H,8-9,11H2,(H2,22,26)(H,23,24)
InChIKeyMNGQKWFIXNBCQP-UHFFFAOYSA-N
XLogP2.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567238
(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 122515866
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 161203994
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
1-[3-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 157443084
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158702947
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239100
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 161218164
3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide (CID 148515048) is 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.
What is the InChIKey of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MNGQKWFIXNBCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-20(26)16-3-1-2-14(10-16)11-17-8-9-25(21(17)27)19-6-4-15(5-7-19)18-12-23-24-13-18/h1-7,10,12-13,17H,8-9,11H2,(H2,22,26)(H,23,24).
What are the key properties of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 360.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 148515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).