2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide

C17H20N4O2S — CID 146149170

IUPAC2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCCC(NS(=O)(=O)c1c(C)nn2cccnc12)c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-3-8-15(14-9-5-4-6-10-14)20-24(22,23)16-13(2)19-21-12-7-11-18-17(16)21/h4-7,9-12,15,20H,3,8H2,1-2H3
InChIKeyVNSGEAJHGUDCIJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide

2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 146149170) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID146149170
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCCC(NS(=O)(=O)c1c(C)nn2cccnc12)c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-3-8-15(14-9-5-4-6-10-14)20-24(22,23)16-13(2)19-21-12-7-11-18-17(16)21/h4-7,9-12,15,20H,3,8H2,1-2H3
InChIKeyVNSGEAJHGUDCIJ-UHFFFAOYSA-N
XLogP2.86
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 146149170) is 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide is CCCC(NS(=O)(=O)c1c(C)nn2cccnc12)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is VNSGEAJHGUDCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-3-8-15(14-9-5-4-6-10-14)20-24(22,23)16-13(2)19-21-12-7-11-18-17(16)21/h4-7,9-12,15,20H,3,8H2,1-2H3.
What are the key properties of 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 146149170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).