2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol

C8H13FN2O — CID 89147283

IUPAC2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol
SMILESCc1c(F)c(C(C)(C)O)nn1C
InChIInChI=1S/C8H13FN2O/c1-5-6(9)7(8(2,3)12)10-11(5)4/h12H,1-4H3
InChIKeyISZOOLNZFBXXLD-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.10
Rot. Bonds1

About 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol

2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol (PubChem CID 89147283) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol
PubChem CID89147283
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol
SMILESCc1c(F)c(C(C)(C)O)nn1C
InChIInChI=1S/C8H13FN2O/c1-5-6(9)7(8(2,3)12)10-11(5)4/h12H,1-4H3
InChIKeyISZOOLNZFBXXLD-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol (CID 89147283) is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol is Cc1c(F)c(C(C)(C)O)nn1C.
What is the InChIKey of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol?
The InChIKey is ISZOOLNZFBXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5-6(9)7(8(2,3)12)10-11(5)4/h12H,1-4H3.
What are the key properties of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol?
2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol has a molecular weight of 172.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 89147283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).