1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol

C8H13FN2O — CID 131071192

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol
SMILESCc1cc(C)n(CC(O)CF)n1
InChIInChI=1S/C8H13FN2O/c1-6-3-7(2)11(10-6)5-8(12)4-9/h3,8,12H,4-5H2,1-2H3
InChIKeyWDCFPDUXARBPPQ-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.83
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol (PubChem CID 131071192) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol
PubChem CID131071192
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol
SMILESCc1cc(C)n(CC(O)CF)n1
InChIInChI=1S/C8H13FN2O/c1-6-3-7(2)11(10-6)5-8(12)4-9/h3,8,12H,4-5H2,1-2H3
InChIKeyWDCFPDUXARBPPQ-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol (CID 131071192) is 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol is Cc1cc(C)n(CC(O)CF)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol?
The InChIKey is WDCFPDUXARBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6-3-7(2)11(10-6)5-8(12)4-9/h3,8,12H,4-5H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol has a molecular weight of 172.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131071192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).