1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide

C19H18BrN3O3 — CID 55770669

IUPAC1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1OC
InChIInChI=1S/C19H18BrN3O3/c1-12-8-17(25-2)18(26-3)9-16(12)22-19(24)13-10-21-23(11-13)15-6-4-14(20)5-7-15/h4-11H,1-3H3,(H,22,24)
InChIKeyUABURYWEOUVMSM-UHFFFAOYSA-N
MW416.28 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55770669) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55770669
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1OC
InChIInChI=1S/C19H18BrN3O3/c1-12-8-17(25-2)18(26-3)9-16(12)22-19(24)13-10-21-23(11-13)15-6-4-14(20)5-7-15/h4-11H,1-3H3,(H,22,24)
InChIKeyUABURYWEOUVMSM-UHFFFAOYSA-N
XLogP4.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
CID 50772769
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
CID 55771196
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55786958
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772604
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
1-(4-bromophenyl)-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 50772851
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 175682313
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide (CID 55770669) is 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide is COc1cc(C)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1OC.
What is the InChIKey of 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is UABURYWEOUVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12-8-17(25-2)18(26-3)9-16(12)22-19(24)13-10-21-23(11-13)15-6-4-14(20)5-7-15/h4-11H,1-3H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55770669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).