N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide

C21H22BrN3O2 — CID 56536116

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)cc1
InChIInChI=1S/C21H22BrN3O2/c1-13-5-11-18(12-6-13)27-15(3)21(26)23-20-19(14(2)24-25(20)4)16-7-9-17(22)10-8-16/h5-12,15H,1-4H3,(H,23,26)
InChIKeySRGNITSQVIKPLS-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.87
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 56536116) has the molecular formula C21H22BrN3O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
PubChem CID56536116
Molecular FormulaC21H22BrN3O2
Molecular Weight428.33 g/mol
Exact Mass427.09
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)cc1
InChIInChI=1S/C21H22BrN3O2/c1-13-5-11-18(12-6-13)27-15(3)21(26)23-20-19(14(2)24-25(20)4)16-7-9-17(22)10-8-16/h5-12,15H,1-4H3,(H,23,26)
InChIKeySRGNITSQVIKPLS-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 56536068
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
CID 56573561
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 56536132
1-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97248292
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56575797
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)butanamide
CID 56535885
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide (CID 56536116) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is SRGNITSQVIKPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2/c1-13-5-11-18(12-6-13)27-15(3)21(26)23-20-19(14(2)24-25(20)4)16-7-9-17(22)10-8-16/h5-12,15H,1-4H3,(H,23,26).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 428.33 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 56536116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).