1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol

C14H17FN2O — CID 55040907

IUPAC1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C14H17FN2O/c1-2-17-10-12(9-16-17)8-14(18)7-11-3-5-13(15)6-4-11/h3-6,9-10,14,18H,2,7-8H2,1H3
InChIKeySFFLAQQKYLCJDJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.19
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol

1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol (PubChem CID 55040907) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol
PubChem CID55040907
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C14H17FN2O/c1-2-17-10-12(9-16-17)8-14(18)7-11-3-5-13(15)6-4-11/h3-6,9-10,14,18H,2,7-8H2,1H3
InChIKeySFFLAQQKYLCJDJ-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol (CID 55040907) is 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol is CCn1cc(CC(O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is SFFLAQQKYLCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17-10-12(9-16-17)8-14(18)7-11-3-5-13(15)6-4-11/h3-6,9-10,14,18H,2,7-8H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 248.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 55040907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).