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

C15H13F3N4O3 — CID 17429388

IUPACN'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)9-3-1-2-4-10(9)22-7-11(23)12(21-22)14(25)20-19-13(24)8-5-6-8/h1-4,7-8,23H,5-6H2,(H,19,24)(H,20,25)
InChIKeyVTQBEXNDBNUFSZ-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.77
Rot. Bonds3

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

N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (PubChem CID 17429388) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
PubChem CID17429388
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)9-3-1-2-4-10(9)22-7-11(23)12(21-22)14(25)20-19-13(24)8-5-6-8/h1-4,7-8,23H,5-6H2,(H,19,24)(H,20,25)
InChIKeyVTQBEXNDBNUFSZ-UHFFFAOYSA-N
XLogP1.77
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.77
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 N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (CID 17429388) is N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is O=C(NNC(=O)C1CC1)c1nn(-c2ccccc2C(F)(F)F)cc1O.
What is the InChIKey of N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The InChIKey is VTQBEXNDBNUFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)9-3-1-2-4-10(9)22-7-11(23)12(21-22)14(25)20-19-13(24)8-5-6-8/h1-4,7-8,23H,5-6H2,(H,19,24)(H,20,25).
What are the key properties of N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide has a molecular weight of 354.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 17429388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).