(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride

C8H8ClN3O2S — CID 84802935

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
SMILESCc1cc2ncc(CS(=O)(=O)Cl)cn2n1
InChIInChI=1S/C8H8ClN3O2S/c1-6-2-8-10-3-7(4-12(8)11-6)5-15(9,13)14/h2-4H,5H2,1H3
InChIKeyYBTXHIYEKQPMQU-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.11
Rot. Bonds2

About (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride

(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride (PubChem CID 84802935) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
PubChem CID84802935
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
SMILESCc1cc2ncc(CS(=O)(=O)Cl)cn2n1
InChIInChI=1S/C8H8ClN3O2S/c1-6-2-8-10-3-7(4-12(8)11-6)5-15(9,13)14/h2-4H,5H2,1H3
InChIKeyYBTXHIYEKQPMQU-UHFFFAOYSA-N
XLogP1.11
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84795007
6-(methylsulfonylmethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 82391500
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 123580553
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620838
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698931
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride (CID 84802935) is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride is Cc1cc2ncc(CS(=O)(=O)Cl)cn2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride?
The InChIKey is YBTXHIYEKQPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-6-2-8-10-3-7(4-12(8)11-6)5-15(9,13)14/h2-4H,5H2,1H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride?
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride is sourced from PubChem (CID 84802935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).