1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide

C15H19BrN4O — CID 64782358

IUPAC1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)NCc1ccc(Br)cc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C15H19BrN4O/c1-15(2,3)18-7-10-4-5-12(16)6-13(10)20-9-11(8-19-20)14(17)21/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21)
InChIKeyGBQXTJZEJAZUHY-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide

1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 64782358) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide
PubChem CID64782358
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)NCc1ccc(Br)cc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C15H19BrN4O/c1-15(2,3)18-7-10-4-5-12(16)6-13(10)20-9-11(8-19-20)14(17)21/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21)
InChIKeyGBQXTJZEJAZUHY-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]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-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide (CID 64782358) is 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide is CC(C)(C)NCc1ccc(Br)cc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is GBQXTJZEJAZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-15(2,3)18-7-10-4-5-12(16)6-13(10)20-9-11(8-19-20)14(17)21/h4-6,8-9,18H,7H2,1-3H3,(H2,17,21).
What are the key properties of 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide?
1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).