N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C19H18BrN3O2 — CID 121088720

IUPACN-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n(C)n2)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-9-14(7-8-16(12)20)21-19(24)18-11-17(22-23(18)2)13-5-4-6-15(10-13)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyYVNARHJAEDVNDY-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.42
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 121088720) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID121088720
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n(C)n2)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-9-14(7-8-16(12)20)21-19(24)18-11-17(22-23(18)2)13-5-4-6-15(10-13)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyYVNARHJAEDVNDY-UHFFFAOYSA-N
XLogP4.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122296841
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3-(3-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 90595519
3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122295727

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 121088720) is N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n(C)n2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is YVNARHJAEDVNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12-9-14(7-8-16(12)20)21-19(24)18-11-17(22-23(18)2)13-5-4-6-15(10-13)25-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121088720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).