4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide

C15H14BrN5O — CID 35534221

IUPAC4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C15H14BrN5O/c1-2-20-10-13(16)14(19-20)15(22)18-11-4-6-12(7-5-11)21-9-3-8-17-21/h3-10H,2H2,1H3,(H,18,22)
InChIKeyNHMCSUXOCLEFRD-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide

4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide (PubChem CID 35534221) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
PubChem CID35534221
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C15H14BrN5O/c1-2-20-10-13(16)14(19-20)15(22)18-11-4-6-12(7-5-11)21-9-3-8-17-21/h3-10H,2H2,1H3,(H,18,22)
InChIKeyNHMCSUXOCLEFRD-UHFFFAOYSA-N
XLogP3.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-bromo-1-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 35535212
4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19267490
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-1-ethyl-N-[(4-methoxyphenyl)carbamothioyl]pyrazole-3-carboxamide
CID 3435911
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072
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-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide (CID 35534221) is 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is NHMCSUXOCLEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-2-20-10-13(16)14(19-20)15(22)18-11-4-6-12(7-5-11)21-9-3-8-17-21/h3-10H,2H2,1H3,(H,18,22).
What are the key properties of 4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 360.22 g/mol, XLogP of 3.10, 4 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-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35534221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).