1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C15H15BrN4O2 — CID 52995994

IUPAC1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H15BrN4O2/c1-19-9-12(7-17-19)18-15(22)10-6-14(21)20(8-10)13-4-2-11(16)3-5-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,22)
InChIKeyBAMJZHWWUJJTDE-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52995994) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52995994
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H15BrN4O2/c1-19-9-12(7-17-19)18-15(22)10-6-14(21)20(8-10)13-4-2-11(16)3-5-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,22)
InChIKeyBAMJZHWWUJJTDE-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3R)-1-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25344191
1-(4-bromophenyl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 42942337
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 52995994) is 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cn1cc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BAMJZHWWUJJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-19-9-12(7-17-19)18-15(22)10-6-14(21)20(8-10)13-4-2-11(16)3-5-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,22).
What are the key properties of 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52995994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).