1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol

C8H13FN2O — CID 80694165

IUPAC1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCF)c1
InChIInChI=1S/C8H13FN2O/c1-2-8(12)7-5-10-11(6-7)4-3-9/h5-6,8,12H,2-4H2,1H3
InChIKeySBVYRTZYXXWVPL-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.30
Rot. Bonds4

About 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol

1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 80694165) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol
PubChem CID80694165
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCF)c1
InChIInChI=1S/C8H13FN2O/c1-2-8(12)7-5-10-11(6-7)4-3-9/h5-6,8,12H,2-4H2,1H3
InChIKeySBVYRTZYXXWVPL-UHFFFAOYSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol (CID 80694165) is 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CCF)c1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is SBVYRTZYXXWVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-2-8(12)7-5-10-11(6-7)4-3-9/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol?
1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 172.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 80694165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).