sodium;methanesulfonate;5-methoxy-1H-pyrazole

C5H9N2NaO4S — CID 175600051

IUPACsodium;methanesulfonate;5-methoxy-1H-pyrazole
SMILESCOc1ccn[nH]1.CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H6N2O.CH4O3S.Na/c1-7-4-2-3-5-6-4;1-5(2,3)4;/h2-3H,1H3,(H,5,6);1H3,(H,2,3,4);/q;;+1/p-1
InChIKeyUWENCRWGYNLDSH-UHFFFAOYSA-M
MW216.19 g/mol
LogP-3.42
Rot. Bonds1

About sodium;methanesulfonate;5-methoxy-1H-pyrazole

sodium;methanesulfonate;5-methoxy-1H-pyrazole (PubChem CID 175600051) has the molecular formula C5H9N2NaO4S and a molecular weight of 216.19 g/mol. Its IUPAC name is sodium;methanesulfonate;5-methoxy-1H-pyrazole.

Molecular Properties

Compound Namesodium;methanesulfonate;5-methoxy-1H-pyrazole
PubChem CID175600051
Molecular FormulaC5H9N2NaO4S
Molecular Weight216.19 g/mol
Exact Mass216.02
IUPAC Namesodium;methanesulfonate;5-methoxy-1H-pyrazole
SMILESCOc1ccn[nH]1.CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H6N2O.CH4O3S.Na/c1-7-4-2-3-5-6-4;1-5(2,3)4;/h2-3H,1H3,(H,5,6);1H3,(H,2,3,4);/q;;+1/p-1
InChIKeyUWENCRWGYNLDSH-UHFFFAOYSA-M
XLogP-3.42
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1H-pyrazol-5-yl sulfite
CID 57108723
oxo(1H-pyrazol-5-yloxy)borane
CID 90694774
5-(difluoromethoxy)-1H-pyrazole;methane;sulfuryl dichloride
CID 175600069
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898
5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 90969251
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
CID 174155754
CID 174155754
dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
CID 174913955
1H-pyrazol-5-yl N-methylcarbamate
CID 154289167
trimethyl(1H-pyrazol-5-yloxymethyl)silane
CID 155784154
5-prop-2-ynoxy-1H-pyrazole
CID 139451946
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312

Frequently Asked Questions

What is the IUPAC name of sodium;methanesulfonate;5-methoxy-1H-pyrazole?
The IUPAC name of sodium;methanesulfonate;5-methoxy-1H-pyrazole (CID 175600051) is sodium;methanesulfonate;5-methoxy-1H-pyrazole.
What is the SMILES notation for sodium;methanesulfonate;5-methoxy-1H-pyrazole?
The canonical SMILES for sodium;methanesulfonate;5-methoxy-1H-pyrazole is COc1ccn[nH]1.CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;methanesulfonate;5-methoxy-1H-pyrazole?
The InChIKey is UWENCRWGYNLDSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2O.CH4O3S.Na/c1-7-4-2-3-5-6-4;1-5(2,3)4;/h2-3H,1H3,(H,5,6);1H3,(H,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;methanesulfonate;5-methoxy-1H-pyrazole?
sodium;methanesulfonate;5-methoxy-1H-pyrazole has a molecular weight of 216.19 g/mol, XLogP of -3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanesulfonate;5-methoxy-1H-pyrazole is sourced from PubChem (CID 175600051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).