1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide

C11H10BrClN4O2 — CID 7017684

IUPAC1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H10BrClN4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18)
InChIKeyYNLDVQMWNYDZKX-UHFFFAOYSA-N
MW345.58 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide

1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide (PubChem CID 7017684) has the molecular formula C11H10BrClN4O2 and a molecular weight of 345.58 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
PubChem CID7017684
Molecular FormulaC11H10BrClN4O2
Molecular Weight345.58 g/mol
Exact Mass343.97
IUPAC Name1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H10BrClN4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18)
InChIKeyYNLDVQMWNYDZKX-UHFFFAOYSA-N
XLogP1.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-bromo-2-chlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19274760
1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19274911
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19274648
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393571
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286929
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274914
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19274844
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19274647
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19274651
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19274832
4-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19274897
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19274881

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide (CID 7017684) is 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide is NNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide?
The InChIKey is YNLDVQMWNYDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18).
What are the key properties of 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide?
1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide has a molecular weight of 345.58 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 7017684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).