(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide

C19H17BrClN3O — CID 175934427

IUPAC(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)[C@H](Cc1cccc(Br)c1)n1ccc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17BrClN3O/c1-22-19(25)18(12-13-5-4-6-14(20)11-13)24-10-9-17(23-24)15-7-2-3-8-16(15)21/h2-11,18H,12H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRAPCVTCFPLNRFJ-SFHVURJKSA-N
MW418.72 g/mol
LogP4.50
Rot. Bonds5

About (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide

(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide (PubChem CID 175934427) has the molecular formula C19H17BrClN3O and a molecular weight of 418.72 g/mol. Its IUPAC name is (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide
PubChem CID175934427
Molecular FormulaC19H17BrClN3O
Molecular Weight418.72 g/mol
Exact Mass417.02
IUPAC Name(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)[C@H](Cc1cccc(Br)c1)n1ccc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17BrClN3O/c1-22-19(25)18(12-13-5-4-6-14(20)11-13)24-10-9-17(23-24)15-7-2-3-8-16(15)21/h2-11,18H,12H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRAPCVTCFPLNRFJ-SFHVURJKSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-[(4-bromophenyl)methyl]-N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-phenylpyrazole-5-carboxamide
CID 170223812
N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 170223677
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924
1-benzyl-N-[3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 175398280
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
1,5-bis(3-bromophenyl)-2,4-bis[5-(2,5-dichlorophenyl)-3,4-dihydropyrazol-2-yl]pentan-3-one
CID 174703520
N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-(2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 175861351
3-(3-bromophenyl)-N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 170223650
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
2-[(3-bromophenyl)methyl]-3-(2,6-dichlorophenyl)propanoic acid
CID 60794074
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide?
The IUPAC name of (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide (CID 175934427) is (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide is CNC(=O)[C@H](Cc1cccc(Br)c1)n1ccc(-c2ccccc2Cl)n1.
What is the InChIKey of (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide?
The InChIKey is RAPCVTCFPLNRFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17BrClN3O/c1-22-19(25)18(12-13-5-4-6-14(20)11-13)24-10-9-17(23-24)15-7-2-3-8-16(15)21/h2-11,18H,12H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide?
(2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide has a molecular weight of 418.72 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-bromophenyl)-2-[3-(2-chlorophenyl)pyrazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 175934427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).