4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide

C14H22N6O2S — CID 56906558

IUPAC4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide
SMILESCc1cc2nc(C(C)C)cc(N3CCN(S(N)(=O)=O)CC3)n2n1
InChIInChI=1S/C14H22N6O2S/c1-10(2)12-9-14(20-13(16-12)8-11(3)17-20)18-4-6-19(7-5-18)23(15,21)22/h8-10H,4-7H2,1-3H3,(H2,15,21,22)
InChIKeyWXBCHSXAEVVVJY-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.49
Rot. Bonds3

About 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide

4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide (PubChem CID 56906558) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide
PubChem CID56906558
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide
SMILESCc1cc2nc(C(C)C)cc(N3CCN(S(N)(=O)=O)CC3)n2n1
InChIInChI=1S/C14H22N6O2S/c1-10(2)12-9-14(20-13(16-12)8-11(3)17-20)18-4-6-19(7-5-18)23(15,21)22/h8-10H,4-7H2,1-3H3,(H2,15,21,22)
InChIKeyWXBCHSXAEVVVJY-UHFFFAOYSA-N
XLogP0.49
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide (CID 56906558) is 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide is Cc1cc2nc(C(C)C)cc(N3CCN(S(N)(=O)=O)CC3)n2n1.
What is the InChIKey of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide?
The InChIKey is WXBCHSXAEVVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-10(2)12-9-14(20-13(16-12)8-11(3)17-20)18-4-6-19(7-5-18)23(15,21)22/h8-10H,4-7H2,1-3H3,(H2,15,21,22).
What are the key properties of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide?
4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide has a molecular weight of 338.44 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 56906558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).