1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide

C19H18BrN3O3 — CID 31940513

IUPAC1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-16(11-21-23(12)14-6-4-13(20)5-7-14)19(24)22-17-10-15(25-2)8-9-18(17)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyTXLYYQMAZJABAC-UHFFFAOYSA-N
MW416.28 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 31940513) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID31940513
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-16(11-21-23(12)14-6-4-13(20)5-7-14)19(24)22-17-10-15(25-2)8-9-18(17)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyTXLYYQMAZJABAC-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-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323601
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
N-(2-butoxy-5-methoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55674807
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 31940513) is 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is TXLYYQMAZJABAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12-16(11-21-23(12)14-6-4-13(20)5-7-14)19(24)22-17-10-15(25-2)8-9-18(17)26-3/h4-11H,1-3H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-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-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31940513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).