1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide

C18H16BrN3O2 — CID 36704733

IUPAC1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)24-2/h3-11H,1-2H3,(H,21,23)
InChIKeyGYQIIXPDUKXNRF-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.20
Rot. Bonds4

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

1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 36704733) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID36704733
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)24-2/h3-11H,1-2H3,(H,21,23)
InChIKeyGYQIIXPDUKXNRF-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 36704733) is 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is GYQIIXPDUKXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)24-2/h3-11H,1-2H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 36704733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).