N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C15H25N5O2S — CID 71969284

IUPACN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(CC(C)(C)C)[nH]n2)c1C
InChIInChI=1S/C15H25N5O2S/c1-7-20-11(3)14(10(2)18-20)23(21,22)19-13-8-12(16-17-13)9-15(4,5)6/h8H,7,9H2,1-6H3,(H2,16,17,19)
InChIKeyYBYMTQQSQADYSZ-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.63
Rot. Bonds5

About N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71969284) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71969284
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(CC(C)(C)C)[nH]n2)c1C
InChIInChI=1S/C15H25N5O2S/c1-7-20-11(3)14(10(2)18-20)23(21,22)19-13-8-12(16-17-13)9-15(4,5)6/h8H,7,9H2,1-6H3,(H2,16,17,19)
InChIKeyYBYMTQQSQADYSZ-UHFFFAOYSA-N
XLogP2.63
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 71969284) is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cc(CC(C)(C)C)[nH]n2)c1C.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is YBYMTQQSQADYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-7-20-11(3)14(10(2)18-20)23(21,22)19-13-8-12(16-17-13)9-15(4,5)6/h8H,7,9H2,1-6H3,(H2,16,17,19).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71969284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).