2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

C15H12F3N5O2S — CID 1498213

IUPAC2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)NN)cs2)cc1
InChIInChI=1S/C15H12F3N5O2S/c1-25-9-4-2-8(3-5-9)11-6-12(15(16,17)18)22-23(11)14-20-10(7-26-14)13(24)21-19/h2-7H,19H2,1H3,(H,21,24)
InChIKeyXACMDIKDNQBWFG-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.63
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide

2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 1498213) has the molecular formula C15H12F3N5O2S and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
PubChem CID1498213
Molecular FormulaC15H12F3N5O2S
Molecular Weight383.36 g/mol
Exact Mass383.07
IUPAC Name2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)NN)cs2)cc1
InChIInChI=1S/C15H12F3N5O2S/c1-25-9-4-2-8(3-5-9)11-6-12(15(16,17)18)22-23(11)14-20-10(7-26-14)13(24)21-19/h2-7H,19H2,1H3,(H,21,24)
InChIKeyXACMDIKDNQBWFG-UHFFFAOYSA-N
XLogP2.63
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Pyrazole scaffold, 13
CID 25218469
2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968117
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498200
2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498267
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
4-methoxy-N'-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)benzenesulfonohydrazide
CID 3845999
N'-[(E)-(3-methoxyphenyl)methylidene]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 9559898
2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71602900
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 1481772
N'-[(E)-(4-methoxyphenyl)methylidene]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 5815372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide (CID 1498213) is 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)NN)cs2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is XACMDIKDNQBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S/c1-25-9-4-2-8(3-5-9)11-6-12(15(16,17)18)22-23(11)14-20-10(7-26-14)13(24)21-19/h2-7H,19H2,1H3,(H,21,24).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide?
2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 383.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1498213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).