5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide

C12H13BrN4O — CID 91872233

IUPAC5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1nc(C(=O)NN)cc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyRMFZBGJTSDRTSM-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.94
Rot. Bonds3

About 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide

5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide (PubChem CID 91872233) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
PubChem CID91872233
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1nc(C(=O)NN)cc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyRMFZBGJTSDRTSM-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.94
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'}

Analyze 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 135267865
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 98639545
1-decyl-5-(4-fluorophenyl)-N-hydroxypyrazole-3-carboxamide
CID 177375928

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide?
The IUPAC name of 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide (CID 91872233) is 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide is CCn1nc(C(=O)NN)cc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide?
The InChIKey is RMFZBGJTSDRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-17-11(7-10(16-17)12(18)15-14)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3,(H,15,18).
What are the key properties of 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide?
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide has a molecular weight of 309.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 91872233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).