N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

C16H19F3N4O — CID 71882069

IUPACN'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1C(C)C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-9(14-10(2)22-23(4)11(14)3)15(24)21-20-13-8-6-5-7-12(13)16(17,18)19/h5-9,20H,1-4H3,(H,21,24)
InChIKeyZGKKUOUCGUTJAI-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.30
Rot. Bonds4

About N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (PubChem CID 71882069) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
PubChem CID71882069
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1C(C)C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-9(14-10(2)22-23(4)11(14)3)15(24)21-20-13-8-6-5-7-12(13)16(17,18)19/h5-9,20H,1-4H3,(H,21,24)
InChIKeyZGKKUOUCGUTJAI-UHFFFAOYSA-N
XLogP3.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
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'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide
CID 97001668
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 35283624
2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
CID 71898167
N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935380
(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95348451
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94798718
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021
[2-(trifluoromethyl)anilino]urea
CID 141255172
(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95290074
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065122

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (CID 71882069) is N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is Cc1nn(C)c(C)c1C(C)C(=O)NNc1ccccc1C(F)(F)F.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The InChIKey is ZGKKUOUCGUTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-9(14-10(2)22-23(4)11(14)3)15(24)21-20-13-8-6-5-7-12(13)16(17,18)19/h5-9,20H,1-4H3,(H,21,24).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide has a molecular weight of 340.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 71882069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).