4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide

C12H10BrClN4O2 — CID 1036857

IUPAC4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10BrClN4O2/c1-18-6-9(13)10(17-18)12(20)16-15-11(19)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20)
InChIKeyRCSQEABFLJPOGC-UHFFFAOYSA-N
MW357.60 g/mol
LogP1.91
Rot. Bonds2

About 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide

4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide (PubChem CID 1036857) has the molecular formula C12H10BrClN4O2 and a molecular weight of 357.60 g/mol. Its IUPAC name is 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide
PubChem CID1036857
Molecular FormulaC12H10BrClN4O2
Molecular Weight357.60 g/mol
Exact Mass355.97
IUPAC Name4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10BrClN4O2/c1-18-6-9(13)10(17-18)12(20)16-15-11(19)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20)
InChIKeyRCSQEABFLJPOGC-UHFFFAOYSA-N
XLogP1.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1,5-dimethyl-N'-(2-methyl-3-phenyl-2-propenylidene)-1H-pyrazole-3-carbohydrazide
CID 6873431
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-chlorophenyl)-ethyl]piperazin-1-yl}methanone
CID 24812462
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
4-chloro-1-methyl-N'-(4-methylbenzylidene)-1H-pyrazole-3-carbohydrazide
CID 5899948
N'-(4-bromobenzylidene)-4-chloro-1,3-dimethyl-1H-pyrazole-5-carbohydrazide
CID 9563862
4-bromo-N'-[(4-chlorophenyl)acetyl]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 1144234
4-chloro-N'-[(1-methyl-1H-pyrazol-5-yl)methylene]benzohydrazide
CID 5412410
4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide
CID 1036832
4-bromo-1-methyl-N'-(2-methyl-3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6874459
N'-benzoyl-4-bromo-1-methyl-1H-pyrazole-3-carbohydrazide
CID 685390
4-bromo-N'-(3-bromobenzoyl)-1-methyl-1H-pyrazole-3-carbohydrazide
CID 1012590
1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 44436846

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide (CID 1036857) is 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide is Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The InChIKey is RCSQEABFLJPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O2/c1-18-6-9(13)10(17-18)12(20)16-15-11(19)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20).
What are the key properties of 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide?
4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide has a molecular weight of 357.60 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-chlorobenzoyl)-1-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 1036857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).