4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C20H17BrN4O2 — CID 46438099

IUPAC4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H17BrN4O2/c21-15-12-22-25(13-15)17-8-6-14(7-9-17)20(27)23-16-3-1-4-18(11-16)24-10-2-5-19(24)26/h1,3-4,6-9,11-13H,2,5,10H2,(H,23,27)
InChIKeyKFIMUUXHYYNLGC-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.01
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 46438099) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID46438099
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H17BrN4O2/c21-15-12-22-25(13-15)17-8-6-14(7-9-17)20(27)23-16-3-1-4-18(11-16)24-10-2-5-19(24)26/h1,3-4,6-9,11-13H,2,5,10H2,(H,23,27)
InChIKeyKFIMUUXHYYNLGC-UHFFFAOYSA-N
XLogP4.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18098119
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 55635640
(E)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8589933
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 46438099) is 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is KFIMUUXHYYNLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c21-15-12-22-25(13-15)17-8-6-14(7-9-17)20(27)23-16-3-1-4-18(11-16)24-10-2-5-19(24)26/h1,3-4,6-9,11-13H,2,5,10H2,(H,23,27).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 425.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 46438099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).