4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C17H18BrN5O — CID 19267419

IUPAC4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)n1
InChIInChI=1S/C17H18BrN5O/c1-3-22-11-15(18)16(21-22)17(24)20-14-8-19-23(10-14)9-13-6-4-5-12(2)7-13/h4-8,10-11H,3,9H2,1-2H3,(H,20,24)
InChIKeyUKBGITLSWQZCDY-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.47
Rot. Bonds5

About 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19267419) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19267419
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)n1
InChIInChI=1S/C17H18BrN5O/c1-3-22-11-15(18)16(21-22)17(24)20-14-8-19-23(10-14)9-13-6-4-5-12(2)7-13/h4-8,10-11H,3,9H2,1-2H3,(H,20,24)
InChIKeyUKBGITLSWQZCDY-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-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267436
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336255
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263530

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19267419) is 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is UKBGITLSWQZCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-3-22-11-15(18)16(21-22)17(24)20-14-8-19-23(10-14)9-13-6-4-5-12(2)7-13/h4-8,10-11H,3,9H2,1-2H3,(H,20,24).
What are the key properties of 4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-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-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19267419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).