1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H19BrN4O2 — CID 71881105

IUPAC1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H19BrN4O2/c1-10-13(11(2)21-20-10)8-19-17(24)12-7-16(23)22(9-12)15-6-4-3-5-14(15)18/h3-6,12H,7-9H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyIXZIWUOFPMPYLY-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71881105) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71881105
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H19BrN4O2/c1-10-13(11(2)21-20-10)8-19-17(24)12-7-16(23)22(9-12)15-6-4-3-5-14(15)18/h3-6,12H,7-9H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyIXZIWUOFPMPYLY-UHFFFAOYSA-N
XLogP2.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 87043657
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97202222
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 71881105) is 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXZIWUOFPMPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-10-13(11(2)21-20-10)8-19-17(24)12-7-16(23)22(9-12)15-6-4-3-5-14(15)18/h3-6,12H,7-9H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71881105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).