1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide

C15H19ClN4O3S — CID 2809449

IUPAC1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)nn1C(C)(C)C
InChIInChI=1S/C15H19ClN4O3S/c1-10-8-13(18-20(10)15(2,3)4)14(21)17-19-24(22,23)12-7-5-6-11(16)9-12/h5-9,19H,1-4H3,(H,17,21)
InChIKeyACVQEGVUBSPCJS-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.22
Rot. Bonds4

About 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide

1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide (PubChem CID 2809449) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide
PubChem CID2809449
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)nn1C(C)(C)C
InChIInChI=1S/C15H19ClN4O3S/c1-10-8-13(18-20(10)15(2,3)4)14(21)17-19-24(22,23)12-7-5-6-11(16)9-12/h5-9,19H,1-4H3,(H,17,21)
InChIKeyACVQEGVUBSPCJS-UHFFFAOYSA-N
XLogP2.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide (CID 2809449) is 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide?
The InChIKey is ACVQEGVUBSPCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-10-8-13(18-20(10)15(2,3)4)14(21)17-19-24(22,23)12-7-5-6-11(16)9-12/h5-9,19H,1-4H3,(H,17,21).
What are the key properties of 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide?
1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide has a molecular weight of 370.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N'-(3-chlorophenyl)sulfonyl-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 2809449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).