6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide

C25H23BrN4O — CID 30751977

IUPAC6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)c3ccc(-c4cccc(Br)c4)nc3C)c2C)cc1
InChIInChI=1S/C25H23BrN4O/c1-15-8-10-21(11-9-15)30-18(4)24(17(3)29-30)28-25(31)22-12-13-23(27-16(22)2)19-6-5-7-20(26)14-19/h5-14H,1-4H3,(H,28,31)
InChIKeyDTQBBYJRGRXXSM-UHFFFAOYSA-N
MW475.39 g/mol
LogP6.18
Rot. Bonds4

About 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 30751977) has the molecular formula C25H23BrN4O and a molecular weight of 475.39 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
PubChem CID30751977
Molecular FormulaC25H23BrN4O
Molecular Weight475.39 g/mol
Exact Mass474.11
IUPAC Name6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)c3ccc(-c4cccc(Br)c4)nc3C)c2C)cc1
InChIInChI=1S/C25H23BrN4O/c1-15-8-10-21(11-9-15)30-18(4)24(17(3)29-30)28-25(31)22-12-13-23(27-16(22)2)19-6-5-7-20(26)14-19/h5-14H,1-4H3,(H,28,31)
InChIKeyDTQBBYJRGRXXSM-UHFFFAOYSA-N
XLogP6.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide (CID 30751977) is 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide is Cc1ccc(-n2nc(C)c(NC(=O)c3ccc(-c4cccc(Br)c4)nc3C)c2C)cc1.
What is the InChIKey of 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is DTQBBYJRGRXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O/c1-15-8-10-21(11-9-15)30-18(4)24(17(3)29-30)28-25(31)22-12-13-23(27-16(22)2)19-6-5-7-20(26)14-19/h5-14H,1-4H3,(H,28,31).
What are the key properties of 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 30751977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).