1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C11H8ClF3N4O — CID 82527528

IUPAC1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4O/c12-7-3-1-2-4-8(7)19-9(11(13,14)15)6(5-17-19)10(20)18-16/h1-5H,16H2,(H,18,20)
InChIKeyGTLUCWAMNUKASZ-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide

1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 82527528) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID82527528
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4O/c12-7-3-1-2-4-8(7)19-9(11(13,14)15)6(5-17-19)10(20)18-16/h1-5H,16H2,(H,18,20)
InChIKeyGTLUCWAMNUKASZ-UHFFFAOYSA-N
XLogP2.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141317711
N-(2-amino-2-methylpropyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119630562
5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 82528028
N-(4-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39982766
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836206
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
N-(2-amino-1-cyclopropylethyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119617660

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 82527528) is 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is NNC(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is GTLUCWAMNUKASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-7-3-1-2-4-8(7)19-9(11(13,14)15)6(5-17-19)10(20)18-16/h1-5H,16H2,(H,18,20).
What are the key properties of 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 304.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 82527528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).