N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C18H14BrFN4O3 — CID 78820177

IUPACN'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(Br)cc3F)[nH]n2)cc1
InChIInChI=1S/C18H14BrFN4O3/c1-27-12-5-2-10(3-6-12)15-9-16(22-21-15)18(26)24-23-17(25)13-7-4-11(19)8-14(13)20/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyRPOWGNCETRUENA-UHFFFAOYSA-N
MW433.24 g/mol
LogP3.06
Rot. Bonds4

About N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78820177) has the molecular formula C18H14BrFN4O3 and a molecular weight of 433.24 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78820177
Molecular FormulaC18H14BrFN4O3
Molecular Weight433.24 g/mol
Exact Mass432.02
IUPAC NameN'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(Br)cc3F)[nH]n2)cc1
InChIInChI=1S/C18H14BrFN4O3/c1-27-12-5-2-10(3-6-12)15-9-16(22-21-15)18(26)24-23-17(25)13-7-4-11(19)8-14(13)20/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyRPOWGNCETRUENA-UHFFFAOYSA-N
XLogP3.06
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.24
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78832186
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 78820177) is N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(Br)cc3F)[nH]n2)cc1.
What is the InChIKey of N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is RPOWGNCETRUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O3/c1-27-12-5-2-10(3-6-12)15-9-16(22-21-15)18(26)24-23-17(25)13-7-4-11(19)8-14(13)20/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 433.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78820177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).