1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide

C11H11BrN4O — CID 82528340

IUPAC1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c1-7-8(11(17)15-13)6-14-16(7)10-5-3-2-4-9(10)12/h2-6H,13H2,1H3,(H,15,17)
InChIKeyFTXVCDMRADCWKN-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide

1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide (PubChem CID 82528340) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
PubChem CID82528340
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c1-7-8(11(17)15-13)6-14-16(7)10-5-3-2-4-9(10)12/h2-6H,13H2,1H3,(H,15,17)
InChIKeyFTXVCDMRADCWKN-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795
5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 82528028
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 166156405
1-(2-bromophenyl)-4,5-dimethylpyrazole
CID 21033983
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide?
The IUPAC name of 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide (CID 82528340) is 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide is Cc1c(C(=O)NN)cnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide?
The InChIKey is FTXVCDMRADCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-8(11(17)15-13)6-14-16(7)10-5-3-2-4-9(10)12/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide?
1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide has a molecular weight of 295.14 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 82528340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).