1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide

C19H22BrN5O3 — CID 56533931

IUPAC1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H22BrN5O3/c1-12-15(10-23-25(12)14-7-5-13(20)6-8-14)18(27)22-11-17(26)24-9-3-4-16(24)19(28)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyJCOHYWVZTDZYSN-UHFFFAOYSA-N
MW448.32 g/mol
LogP1.41
Rot. Bonds5

About 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 56533931) has the molecular formula C19H22BrN5O3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID56533931
Molecular FormulaC19H22BrN5O3
Molecular Weight448.32 g/mol
Exact Mass447.09
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H22BrN5O3/c1-12-15(10-23-25(12)14-7-5-13(20)6-8-14)18(27)22-11-17(26)24-9-3-4-16(24)19(28)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyJCOHYWVZTDZYSN-UHFFFAOYSA-N
XLogP1.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56533900
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697
(2S)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 95977610
1-[2-[3-[(4-bromobenzoyl)amino]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534137
1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 55803274
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56544293

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide (CID 56533931) is 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is JCOHYWVZTDZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O3/c1-12-15(10-23-25(12)14-7-5-13(20)6-8-14)18(27)22-11-17(26)24-9-3-4-16(24)19(28)21-2/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,21,28)(H,22,27).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).