2-(2-methylpyrazol-3-yl)ethyl methanesulfonate

C7H12N2O3S — CID 118545210

IUPAC2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
SMILESCn1nccc1CCOS(C)(=O)=O
InChIInChI=1S/C7H12N2O3S/c1-9-7(3-5-8-9)4-6-12-13(2,10)11/h3,5H,4,6H2,1-2H3
InChIKeyCUPZPVLSSYMBIX-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.06
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate

2-(2-methylpyrazol-3-yl)ethyl methanesulfonate (PubChem CID 118545210) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
PubChem CID118545210
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
SMILESCn1nccc1CCOS(C)(=O)=O
InChIInChI=1S/C7H12N2O3S/c1-9-7(3-5-8-9)4-6-12-13(2,10)11/h3,5H,4,6H2,1-2H3
InChIKeyCUPZPVLSSYMBIX-UHFFFAOYSA-N
XLogP-0.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
CID 102999451
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024248
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
CID 103000433
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate?
The IUPAC name of 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate (CID 118545210) is 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate is Cn1nccc1CCOS(C)(=O)=O.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate?
The InChIKey is CUPZPVLSSYMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-9-7(3-5-8-9)4-6-12-13(2,10)11/h3,5H,4,6H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate?
2-(2-methylpyrazol-3-yl)ethyl methanesulfonate has a molecular weight of 204.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)ethyl methanesulfonate is sourced from PubChem (CID 118545210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).