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

C17H12F3N5O3 — CID 17485628

IUPACN'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1cccnc1
InChIInChI=1S/C17H12F3N5O3/c18-17(19,20)11-5-1-2-6-12(11)25-9-13(26)14(24-25)16(28)23-22-15(27)10-4-3-7-21-8-10/h1-9,26H,(H,22,27)(H,23,28)
InChIKeyZRYMBQQENBOHOV-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.07
Rot. Bonds3

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

N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide (PubChem CID 17485628) has the molecular formula C17H12F3N5O3 and a molecular weight of 391.31 g/mol. Its IUPAC name is N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide
PubChem CID17485628
Molecular FormulaC17H12F3N5O3
Molecular Weight391.31 g/mol
Exact Mass391.09
IUPAC NameN'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1cccnc1
InChIInChI=1S/C17H12F3N5O3/c18-17(19,20)11-5-1-2-6-12(11)25-9-13(26)14(24-25)16(28)23-22-15(27)10-4-3-7-21-8-10/h1-9,26H,(H,22,27)(H,23,28)
InChIKeyZRYMBQQENBOHOV-UHFFFAOYSA-N
XLogP2.07
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide (CID 17485628) is N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1cccnc1.
What is the InChIKey of N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is ZRYMBQQENBOHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O3/c18-17(19,20)11-5-1-2-6-12(11)25-9-13(26)14(24-25)16(28)23-22-15(27)10-4-3-7-21-8-10/h1-9,26H,(H,22,27)(H,23,28).
What are the key properties of N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide?
N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 391.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 17485628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).