3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide

C13H15ClN6O2S — CID 127617014

IUPAC3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1
InChIInChI=1S/C13H15ClN6O2S/c1-7-11(14)13-15-5-10(6-20(13)17-7)23(21,22)18-12-8(2)16-19(4)9(12)3/h5-6,18H,1-4H3
InChIKeyXPDNAWSCTOJLTK-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.84
Rot. Bonds3

About 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide

3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide (PubChem CID 127617014) has the molecular formula C13H15ClN6O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
PubChem CID127617014
Molecular FormulaC13H15ClN6O2S
Molecular Weight354.82 g/mol
Exact Mass354.07
IUPAC Name3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1
InChIInChI=1S/C13H15ClN6O2S/c1-7-11(14)13-15-5-10(6-20(13)17-7)23(21,22)18-12-8(2)16-19(4)9(12)3/h5-6,18H,1-4H3
InChIKeyXPDNAWSCTOJLTK-UHFFFAOYSA-N
XLogP1.84
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide (CID 127617014) is 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1.
What is the InChIKey of 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The InChIKey is XPDNAWSCTOJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2S/c1-7-11(14)13-15-5-10(6-20(13)17-7)23(21,22)18-12-8(2)16-19(4)9(12)3/h5-6,18H,1-4H3.
What are the key properties of 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide has a molecular weight of 354.82 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 127617014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).