2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide

C23H18F3N5O2 — CID 55333625

IUPAC2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1
InChIInChI=1S/C23H18F3N5O2/c1-14-6-8-15(9-7-14)19-12-17(16-4-2-3-5-18(16)27-19)22(33)29-28-21(32)13-31-11-10-20(30-31)23(24,25)26/h2-12H,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyNXNOWUMAMIHPRT-UHFFFAOYSA-N
MW453.42 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide

2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide (PubChem CID 55333625) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
PubChem CID55333625
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1
InChIInChI=1S/C23H18F3N5O2/c1-14-6-8-15(9-7-14)19-12-17(16-4-2-3-5-18(16)27-19)22(33)29-28-21(32)13-31-11-10-20(30-31)23(24,25)26/h2-12H,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyNXNOWUMAMIHPRT-UHFFFAOYSA-N
XLogP3.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 53.89
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

2-(4-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]quinoline-4-carbohydrazide
CID 9077551
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 55647880
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
2-(4-chlorophenyl)-N'-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 24540302
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
CID 55376531
2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
CID 24979775
N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 35699410

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide (CID 55333625) is 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide?
The InChIKey is NXNOWUMAMIHPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-14-6-8-15(9-7-14)19-12-17(16-4-2-3-5-18(16)27-19)22(33)29-28-21(32)13-31-11-10-20(30-31)23(24,25)26/h2-12H,13H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide?
2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide has a molecular weight of 453.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55333625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).