1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide

C19H18BrN3O3 — CID 31936823

IUPAC1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc(OC)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-18(11-21-23(12)15-6-4-13(20)5-7-15)19(24)22-14-8-16(25-2)10-17(9-14)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyPVQKPWNBPPIICU-UHFFFAOYSA-N
MW416.28 g/mol
LogP4.21
Rot. Bonds5

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

1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 31936823) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID31936823
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc(OC)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-18(11-21-23(12)15-6-4-13(20)5-7-15)19(24)22-14-8-16(25-2)10-17(9-14)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyPVQKPWNBPPIICU-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 31936823) is 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc(OC)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is PVQKPWNBPPIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12-18(11-21-23(12)15-6-4-13(20)5-7-15)19(24)22-14-8-16(25-2)10-17(9-14)26-3/h4-11H,1-3H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)-N-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(3,5-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-(3,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31936823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).