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

C7H11ClN2O3 — CID 170819237

IUPAC1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol
SMILESCn1cc(Cl)c(C(O)C(O)CO)n1
InChIInChI=1S/C7H11ClN2O3/c1-10-2-4(8)6(9-10)7(13)5(12)3-11/h2,5,7,11-13H,3H2,1H3
InChIKeySTINUOPRHRYCSS-UHFFFAOYSA-N
MW206.63 g/mol
LogP-0.54
Rot. Bonds3

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

1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol (PubChem CID 170819237) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol
PubChem CID170819237
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol
SMILESCn1cc(Cl)c(C(O)C(O)CO)n1
InChIInChI=1S/C7H11ClN2O3/c1-10-2-4(8)6(9-10)7(13)5(12)3-11/h2,5,7,11-13H,3H2,1H3
InChIKeySTINUOPRHRYCSS-UHFFFAOYSA-N
XLogP-0.54
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol (CID 170819237) is 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol is Cn1cc(Cl)c(C(O)C(O)CO)n1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol?
The InChIKey is STINUOPRHRYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3/c1-10-2-4(8)6(9-10)7(13)5(12)3-11/h2,5,7,11-13H,3H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol?
1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol has a molecular weight of 206.63 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170819237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).