1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C22H20ClF3N4O3 — CID 46537226

IUPAC1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1C
InChIInChI=1S/C22H20ClF3N4O3/c1-12-5-4-6-18(13(12)2)33-14(3)20(31)28-29-21(32)17-11-27-30(19(17)22(24,25)26)16-9-7-15(23)8-10-16/h4-11,14H,1-3H3,(H,28,31)(H,29,32)
InChIKeyGGNMPCBTJKYZRT-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide

1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 46537226) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID46537226
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC Name1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1C
InChIInChI=1S/C22H20ClF3N4O3/c1-12-5-4-6-18(13(12)2)33-14(3)20(31)28-29-21(32)17-11-27-30(19(17)22(24,25)26)16-9-7-15(23)8-10-16/h4-11,14H,1-3H3,(H,28,31)(H,29,32)
InChIKeyGGNMPCBTJKYZRT-UHFFFAOYSA-N
XLogP4.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39910208
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
ethyl 1-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 46403422
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46586439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 46537226) is 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is GGNMPCBTJKYZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-12-5-4-6-18(13(12)2)33-14(3)20(31)28-29-21(32)17-11-27-30(19(17)22(24,25)26)16-9-7-15(23)8-10-16/h4-11,14H,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 480.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 46537226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).