4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide

C17H18BrN5O — CID 35529894

IUPAC4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H18BrN5O/c1-3-23-16(15(18)9-20-23)17(24)21-14-8-19-22(11-14)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyMIYGOHZDMIZDEG-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.47
Rot. Bonds5

About 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide

4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 35529894) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID35529894
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C17H18BrN5O/c1-3-23-16(15(18)9-20-23)17(24)21-14-8-19-22(11-14)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyMIYGOHZDMIZDEG-UHFFFAOYSA-N
XLogP3.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-5-carboxamide
CID 19476744
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide (CID 35529894) is 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1.
What is the InChIKey of 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is MIYGOHZDMIZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-3-23-16(15(18)9-20-23)17(24)21-14-8-19-22(11-14)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,21,24).
What are the key properties of 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 35529894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).