1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H19BrN4O — CID 46554617

IUPAC1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN4O/c1-16-20(15-26-28(16)19-12-10-18(24)11-13-19)23(29)27-22(17-7-3-2-4-8-17)21-9-5-6-14-25-21/h2-15,22H,1H3,(H,27,29)
InChIKeyBODSFBALIOWFIS-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 46554617) has the molecular formula C23H19BrN4O and a molecular weight of 447.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID46554617
Molecular FormulaC23H19BrN4O
Molecular Weight447.34 g/mol
Exact Mass446.07
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN4O/c1-16-20(15-26-28(16)19-12-10-18(24)11-13-19)23(29)27-22(17-7-3-2-4-8-17)21-9-5-6-14-25-21/h2-15,22H,1H3,(H,27,29)
InChIKeyBODSFBALIOWFIS-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 46554617) is 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is BODSFBALIOWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O/c1-16-20(15-26-28(16)19-12-10-18(24)11-13-19)23(29)27-22(17-7-3-2-4-8-17)21-9-5-6-14-25-21/h2-15,22H,1H3,(H,27,29).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 447.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46554617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).