2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

C19H21Br2N5O — CID 19394748

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C)c(Br)c3C)n2)cc1
InChIInChI=1S/C19H21Br2N5O/c1-11-5-7-15(8-6-11)9-25-10-16(20)18(24-25)22-19(27)14(4)26-13(3)17(21)12(2)23-26/h5-8,10,14H,9H2,1-4H3,(H,22,24,27)
InChIKeyQJULMEMKWAWBKU-UHFFFAOYSA-N
MW495.22 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19394748) has the molecular formula C19H21Br2N5O and a molecular weight of 495.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19394748
Molecular FormulaC19H21Br2N5O
Molecular Weight495.22 g/mol
Exact Mass493.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C)c(Br)c3C)n2)cc1
InChIInChI=1S/C19H21Br2N5O/c1-11-5-7-15(8-6-11)9-25-10-16(20)18(24-25)22-19(27)14(4)26-13(3)17(21)12(2)23-26/h5-8,10,14H,9H2,1-4H3,(H,22,24,27)
InChIKeyQJULMEMKWAWBKU-UHFFFAOYSA-N
XLogP4.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19284413
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287684
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394654
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19347331
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19537927
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19347287
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19532570
4,5-dibromo-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19394637
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19284399
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 19568609
1-[1-[[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505037
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394657

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (CID 19394748) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is Cc1ccc(Cn2cc(Br)c(NC(=O)C(C)n3nc(C)c(Br)c3C)n2)cc1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is QJULMEMKWAWBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N5O/c1-11-5-7-15(8-6-11)9-25-10-16(20)18(24-25)22-19(27)14(4)26-13(3)17(21)12(2)23-26/h5-8,10,14H,9H2,1-4H3,(H,22,24,27).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 495.22 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19394748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).