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

C7H12N2O4 — CID 85393292

IUPAC1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
SMILESCn1ncc(O)c1C(O)C(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
InChIKeyDVWXPPPGDSXMGT-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.49
Rot. Bonds3

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

1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol (PubChem CID 85393292) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
PubChem CID85393292
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
SMILESCn1ncc(O)c1C(O)C(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
InChIKeyDVWXPPPGDSXMGT-UHFFFAOYSA-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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Related Compounds

(1S,2R)-1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol
CID 11084598
1-methyl-5-(2-methylpropyl)pyrazol-4-ol
CID 105430134
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
CID 167129375
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The IUPAC name of 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol (CID 85393292) is 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol is Cn1ncc(O)c1C(O)C(O)CO.
What is the InChIKey of 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
The InChIKey is DVWXPPPGDSXMGT-UHFFFAOYSA-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.
What are the key properties of 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol?
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 1-(4-hydroxy-1-methylpyrazol-5-yl)propane-1,2,3-triol is sourced from PubChem (CID 85393292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).