2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide

C20H15ClFN5OS — CID 45276782

IUPAC2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)NN
InChIInChI=1S/C20H15ClFN5OS/c1-11-18(19(28)25-23)29-20(24-11)16-10-17(12-2-4-13(21)5-3-12)27(26-16)15-8-6-14(22)7-9-15/h2-10H,23H2,1H3,(H,25,28)
InChIKeyOMGZJXWBSYXWSP-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.37
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide

2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 45276782) has the molecular formula C20H15ClFN5OS and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID45276782
Molecular FormulaC20H15ClFN5OS
Molecular Weight427.89 g/mol
Exact Mass427.07
IUPAC Name2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)NN
InChIInChI=1S/C20H15ClFN5OS/c1-11-18(19(28)25-23)29-20(24-11)16-10-17(12-2-4-13(21)5-3-12)27(26-16)15-8-6-14(22)7-9-15/h2-10H,23H2,1H3,(H,25,28)
InChIKeyOMGZJXWBSYXWSP-UHFFFAOYSA-N
XLogP4.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide (CID 45276782) is 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)NN.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is OMGZJXWBSYXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5OS/c1-11-18(19(28)25-23)29-20(24-11)16-10-17(12-2-4-13(21)5-3-12)27(26-16)15-8-6-14(22)7-9-15/h2-10H,23H2,1H3,(H,25,28).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide?
2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 427.89 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 45276782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).