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

C21H15F3N6O2 — CID 35066330

IUPACN'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H15F3N6O2/c1-12-15(11-26-30(12)18-9-7-14(10-25-18)21(22,23)24)19(31)28-29-20(32)17-8-6-13-4-2-3-5-16(13)27-17/h2-11H,1H3,(H,28,31)(H,29,32)
InChIKeyJZHNUGPYJFXYBT-UHFFFAOYSA-N
MW440.39 g/mol
LogP3.22
Rot. Bonds3

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

N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide (PubChem CID 35066330) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
PubChem CID35066330
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC NameN'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H15F3N6O2/c1-12-15(11-26-30(12)18-9-7-14(10-25-18)21(22,23)24)19(31)28-29-20(32)17-8-6-13-4-2-3-5-16(13)27-17/h2-11H,1H3,(H,28,31)(H,29,32)
InChIKeyJZHNUGPYJFXYBT-UHFFFAOYSA-N
XLogP3.22
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 46480692
N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 25465652
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 110000971
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55635689
[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579254
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
N-(2-fluoro-4-methylphenyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 31312673
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31211449
N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43046993
N-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55717058

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide (CID 35066330) is N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is JZHNUGPYJFXYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c1-12-15(11-26-30(12)18-9-7-14(10-25-18)21(22,23)24)19(31)28-29-20(32)17-8-6-13-4-2-3-5-16(13)27-17/h2-11H,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide?
N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 440.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35066330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).