3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

C12H13FN2O — CID 15626653

IUPAC3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H13FN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15)
InChIKeyFJACLEKNUFJTTN-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.14
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 15626653) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID15626653
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H13FN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15)
InChIKeyFJACLEKNUFJTTN-UHFFFAOYSA-N
XLogP2.14
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 15626653) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is OCCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is FJACLEKNUFJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 220.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 15626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).