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

C17H17BrN6O2 — CID 19267490

IUPAC4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C17H17BrN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyWYKIYLAIGFJXHV-UHFFFAOYSA-N
MW417.27 g/mol
LogP2.90
Rot. Bonds5

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

4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19267490) has the molecular formula C17H17BrN6O2 and a molecular weight of 417.27 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID19267490
Molecular FormulaC17H17BrN6O2
Molecular Weight417.27 g/mol
Exact Mass416.06
IUPAC Name4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C17H17BrN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyWYKIYLAIGFJXHV-UHFFFAOYSA-N
XLogP2.90
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
CID 35534221
4-bromo-1-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 35535212
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-[4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19264401
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (CID 19267490) is 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is WYKIYLAIGFJXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 417.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19267490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).