dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane

C6H12N2O3S — CID 155744814

IUPACdihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane
SMILESCOCc1ccnn1S(C)(O)O
InChIInChI=1S/C6H12N2O3S/c1-11-5-6-3-4-7-8(6)12(2,9)10/h3-4,9-10H,5H2,1-2H3
InChIKeyVTUZMNQSAHLLEQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.17
Rot. Bonds3

About dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane

dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane (PubChem CID 155744814) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane
PubChem CID155744814
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Namedihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane
SMILESCOCc1ccnn1S(C)(O)O
InChIInChI=1S/C6H12N2O3S/c1-11-5-6-3-4-7-8(6)12(2,9)10/h3-4,9-10H,5H2,1-2H3
InChIKeyVTUZMNQSAHLLEQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane?
The IUPAC name of dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane (CID 155744814) is dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane.
What is the SMILES notation for dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane?
The canonical SMILES for dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane is COCc1ccnn1S(C)(O)O.
What is the InChIKey of dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane?
The InChIKey is VTUZMNQSAHLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-11-5-6-3-4-7-8(6)12(2,9)10/h3-4,9-10H,5H2,1-2H3.
What are the key properties of dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane?
dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane has a molecular weight of 192.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[5-(methoxymethyl)pyrazol-1-yl]-methyl-λ4-sulfane is sourced from PubChem (CID 155744814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).