4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide

C16H15BrN6O2 — CID 19475191

IUPAC4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3c(Br)cnn3C)c2)n1
InChIInChI=1S/C16H15BrN6O2/c1-22-7-6-13(21-22)15(24)19-10-4-3-5-11(8-10)20-16(25)14-12(17)9-18-23(14)2/h3-9H,1-2H3,(H,19,24)(H,20,25)
InChIKeyFIRZAEIMPIICIG-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.42
Rot. Bonds4

About 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide

4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide (PubChem CID 19475191) has the molecular formula C16H15BrN6O2 and a molecular weight of 403.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
PubChem CID19475191
Molecular FormulaC16H15BrN6O2
Molecular Weight403.24 g/mol
Exact Mass402.04
IUPAC Name4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)c3c(Br)cnn3C)c2)n1
InChIInChI=1S/C16H15BrN6O2/c1-22-7-6-13(21-22)15(24)19-10-4-3-5-11(8-10)20-16(25)14-12(17)9-18-23(14)2/h3-9H,1-2H3,(H,19,24)(H,20,25)
InChIKeyFIRZAEIMPIICIG-UHFFFAOYSA-N
XLogP2.42
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 19576393
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
N-(1,3-benzodioxol-5-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19579445
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
N-[3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19567929
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468297
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide (CID 19475191) is 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide is Cn1ccc(C(=O)Nc2cccc(NC(=O)c3c(Br)cnn3C)c2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide?
The InChIKey is FIRZAEIMPIICIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O2/c1-22-7-6-13(21-22)15(24)19-10-4-3-5-11(8-10)20-16(25)14-12(17)9-18-23(14)2/h3-9H,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide?
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide has a molecular weight of 403.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19475191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).