(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol

C7H12N2O4 — CID 11084598

IUPAC(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
SMILESCn1ncc(O)c1[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H12N2O4/c1-9-6(4(11)2-8-9)7(13)5(12)3-10/h2,5,7,10-13H,3H2,1H3/t5-,7-/m1/s1
InChIKeyDVWXPPPGDSXMGT-IYSWYEEDSA-N
MW188.18 g/mol
LogP-1.49
Rot. Bonds3

About (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol

(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol (PubChem CID 11084598) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
PubChem CID11084598
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
SMILESCn1ncc(O)c1[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H12N2O4/c1-9-6(4(11)2-8-9)7(13)5(12)3-10/h2,5,7,10-13H,3H2,1H3/t5-,7-/m1/s1
InChIKeyDVWXPPPGDSXMGT-IYSWYEEDSA-N
XLogP-1.49
TPSA98.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The IUPAC name of (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol (CID 11084598) is (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol.
What is the SMILES notation for (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The canonical SMILES for (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol is Cn1ncc(O)c1[C@H](O)[C@H](O)CO.
What is the InChIKey of (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The InChIKey is DVWXPPPGDSXMGT-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-9-6(4(11)2-8-9)7(13)5(12)3-10/h2,5,7,10-13H,3H2,1H3/t5-,7-/m1/s1.
What are the key properties of (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol has a molecular weight of 188.18 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol is sourced from PubChem (CID 11084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).