1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol

C9H15FN2O — CID 81114046

IUPAC1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCF)c1
InChIInChI=1S/C9H15FN2O/c1-2-9(13)8-6-11-12(7-8)5-3-4-10/h6-7,9,13H,2-5H2,1H3
InChIKeyPKCMLUBNGXFRQG-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.69
Rot. Bonds5

About 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol

1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol (PubChem CID 81114046) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol
PubChem CID81114046
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCF)c1
InChIInChI=1S/C9H15FN2O/c1-2-9(13)8-6-11-12(7-8)5-3-4-10/h6-7,9,13H,2-5H2,1H3
InChIKeyPKCMLUBNGXFRQG-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol (CID 81114046) is 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CCCF)c1.
What is the InChIKey of 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is PKCMLUBNGXFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-2-9(13)8-6-11-12(7-8)5-3-4-10/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol?
1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 186.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 81114046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).