2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide

C11H16BrN5O2S — CID 167872990

IUPAC2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C11H16BrN5O2S/c1-8(7-20(18,19)16(2)3)14-10-4-5-17-11(15-10)9(12)6-13-17/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyUHKHHLAUFMROSH-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.18
Rot. Bonds5

About 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide

2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 167872990) has the molecular formula C11H16BrN5O2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide
PubChem CID167872990
Molecular FormulaC11H16BrN5O2S
Molecular Weight362.25 g/mol
Exact Mass361.02
IUPAC Name2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C11H16BrN5O2S/c1-8(7-20(18,19)16(2)3)14-10-4-5-17-11(15-10)9(12)6-13-17/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyUHKHHLAUFMROSH-UHFFFAOYSA-N
XLogP1.18
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide (CID 167872990) is 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)C)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is UHKHHLAUFMROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O2S/c1-8(7-20(18,19)16(2)3)14-10-4-5-17-11(15-10)9(12)6-13-17/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide?
2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 362.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 167872990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).