(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol

C8H14N2O2 — CID 129418649

IUPAC(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol
SMILESCCn1ccc([C@H](O)CCO)n1
InChIInChI=1S/C8H14N2O2/c1-2-10-5-3-7(9-10)8(12)4-6-11/h3,5,8,11-12H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyUZSLZTNNAYJZTI-MRVPVSSYSA-N
MW170.21 g/mol
LogP0.32
Rot. Bonds4

About (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol

(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol (PubChem CID 129418649) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol
PubChem CID129418649
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol
SMILESCCn1ccc([C@H](O)CCO)n1
InChIInChI=1S/C8H14N2O2/c1-2-10-5-3-7(9-10)8(12)4-6-11/h3,5,8,11-12H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyUZSLZTNNAYJZTI-MRVPVSSYSA-N
XLogP0.32
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol?
The IUPAC name of (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol (CID 129418649) is (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol.
What is the SMILES notation for (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol?
The canonical SMILES for (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol is CCn1ccc([C@H](O)CCO)n1.
What is the InChIKey of (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol?
The InChIKey is UZSLZTNNAYJZTI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-10-5-3-7(9-10)8(12)4-6-11/h3,5,8,11-12H,2,4,6H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol?
(1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol has a molecular weight of 170.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-ethylpyrazol-3-yl)propane-1,3-diol is sourced from PubChem (CID 129418649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).