N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H19BrN4O2 — CID 55776650

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19BrN4O2/c22-17-4-1-3-15(13-17)14-26-19(10-11-23-26)24-21(28)16-6-8-18(9-7-16)25-12-2-5-20(25)27/h1,3-4,6-11,13H,2,5,12,14H2,(H,24,28)
InChIKeyCBWDGOZPWPDZJZ-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55776650) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55776650
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19BrN4O2/c22-17-4-1-3-15(13-17)14-26-19(10-11-23-26)24-21(28)16-6-8-18(9-7-16)25-12-2-5-20(25)27/h1,3-4,6-11,13H,2,5,12,14H2,(H,24,28)
InChIKeyCBWDGOZPWPDZJZ-UHFFFAOYSA-N
XLogP4.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55776523
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 47047247
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 94134184
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134041028
N-(3-bromophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9038771
N-[3-[[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55954128
N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 5440401
N-[3-(methoxymethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32637877
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 55776650) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CBWDGOZPWPDZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c22-17-4-1-3-15(13-17)14-26-19(10-11-23-26)24-21(28)16-6-8-18(9-7-16)25-12-2-5-20(25)27/h1,3-4,6-11,13H,2,5,12,14H2,(H,24,28).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55776650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).