4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide

C16H17F3N4O3 — CID 17489071

IUPAC4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C16H17F3N4O3/c1-9(2)7-13(25)20-21-15(26)14-12(24)8-23(22-14)11-6-4-3-5-10(11)16(17,18)19/h3-6,8-9,24H,7H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyUCAVDRQNCGQXLY-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.40
Rot. Bonds4

About 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide

4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (PubChem CID 17489071) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
PubChem CID17489071
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C16H17F3N4O3/c1-9(2)7-13(25)20-21-15(26)14-12(24)8-23(22-14)11-6-4-3-5-10(11)16(17,18)19/h3-6,8-9,24H,7H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyUCAVDRQNCGQXLY-UHFFFAOYSA-N
XLogP2.40
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (CID 17489071) is 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is CC(C)CC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O.
What is the InChIKey of 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The InChIKey is UCAVDRQNCGQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-9(2)7-13(25)20-21-15(26)14-12(24)8-23(22-14)11-6-4-3-5-10(11)16(17,18)19/h3-6,8-9,24H,7H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide has a molecular weight of 370.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(3-methylbutanoyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 17489071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).