N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide

C21H13F4N5O2 — CID 25465652

IUPACN'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C21H13F4N5O2/c22-13-6-8-14(9-7-13)30-18(21(23,24)25)15(11-26-30)19(31)28-29-20(32)17-10-5-12-3-1-2-4-16(12)27-17/h1-11H,(H,28,31)(H,29,32)
InChIKeyBPMFKFBTUDVGJE-UHFFFAOYSA-N
MW443.36 g/mol
LogP3.65
Rot. Bonds3

About N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide

N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide (PubChem CID 25465652) has the molecular formula C21H13F4N5O2 and a molecular weight of 443.36 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide
PubChem CID25465652
Molecular FormulaC21H13F4N5O2
Molecular Weight443.36 g/mol
Exact Mass443.10
IUPAC NameN'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C21H13F4N5O2/c22-13-6-8-14(9-7-13)30-18(21(23,24)25)15(11-26-30)19(31)28-29-20(32)17-10-5-12-3-1-2-4-16(12)27-17/h1-11H,(H,28,31)(H,29,32)
InChIKeyBPMFKFBTUDVGJE-UHFFFAOYSA-N
XLogP3.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 35066330
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31687955
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-[2-(1H-indol-3-yl)acetyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 36759070
N'-(2-methylbenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 46541102
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide (CID 25465652) is N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is BPMFKFBTUDVGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N5O2/c22-13-6-8-14(9-7-13)30-18(21(23,24)25)15(11-26-30)19(31)28-29-20(32)17-10-5-12-3-1-2-4-16(12)27-17/h1-11H,(H,28,31)(H,29,32).
What are the key properties of N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 443.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 25465652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).