1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide

C20H35N5O2S — CID 86934852

IUPAC1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C20H35N5O2S/c1-13-17(14(2)24(21-13)19(6,7)8)28(26,27)23-16-12-15(18(3,4)5)22-25(16)20(9,10)11/h12,23H,1-11H3
InChIKeyDAUVOTMEFHJPQP-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.30
Rot. Bonds3

About 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide

1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 86934852) has the molecular formula C20H35N5O2S and a molecular weight of 409.60 g/mol. Its IUPAC name is 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID86934852
Molecular FormulaC20H35N5O2S
Molecular Weight409.60 g/mol
Exact Mass409.25
IUPAC Name1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C20H35N5O2S/c1-13-17(14(2)24(21-13)19(6,7)8)28(26,27)23-16-12-15(18(3,4)5)22-25(16)20(9,10)11/h12,23H,1-11H3
InChIKeyDAUVOTMEFHJPQP-UHFFFAOYSA-N
XLogP4.30
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide (CID 86934852) is 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is DAUVOTMEFHJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2S/c1-13-17(14(2)24(21-13)19(6,7)8)28(26,27)23-16-12-15(18(3,4)5)22-25(16)20(9,10)11/h12,23H,1-11H3.
What are the key properties of 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide?
1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 409.60 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1,3-ditert-butylpyrazol-5-yl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 86934852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).