1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

C12H19N5O2S — CID 104620759

IUPAC1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H19N5O2S/c1-7(2)10-6-11(14-13-10)16-20(18,19)12-8(3)15-17(5)9(12)4/h6-7H,1-5H3,(H2,13,14,16)
InChIKeyREPCXVSISRKUJH-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.68
Rot. Bonds4

About 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 104620759) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID104620759
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C12H19N5O2S/c1-7(2)10-6-11(14-13-10)16-20(18,19)12-8(3)15-17(5)9(12)4/h6-7H,1-5H3,(H2,13,14,16)
InChIKeyREPCXVSISRKUJH-UHFFFAOYSA-N
XLogP1.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (CID 104620759) is 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is REPCXVSISRKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-7(2)10-6-11(14-13-10)16-20(18,19)12-8(3)15-17(5)9(12)4/h6-7H,1-5H3,(H2,13,14,16).
What are the key properties of 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 104620759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).