6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C11H13BrN4O2S — CID 126841464

IUPAC6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C11H13BrN4O2S/c1-15(6-8-2-3-8)19(17,18)10-5-14-16-7-9(12)4-13-11(10)16/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVKGYCIOUSHLGQF-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.52
Rot. Bonds4

About 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 126841464) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID126841464
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C11H13BrN4O2S/c1-15(6-8-2-3-8)19(17,18)10-5-14-16-7-9(12)4-13-11(10)16/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVKGYCIOUSHLGQF-UHFFFAOYSA-N
XLogP1.52
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 126841464) is 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is CN(CC1CC1)S(=O)(=O)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is VKGYCIOUSHLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-15(6-8-2-3-8)19(17,18)10-5-14-16-7-9(12)4-13-11(10)16/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 126841464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).