1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

C14H17FN2O2 — CID 22331396

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyAETYPCYDFNGCEV-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.08
Rot. Bonds5

About 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 22331396) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID22331396
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3
InChIKeyAETYPCYDFNGCEV-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
1-(3,5-Dimethylpyrazolyl)-3-(2-bromophenoxy)propan-2-ol
CID 3844024
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
1-(3,5-dimethylphenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 22331397
2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yloxy)-phenol
CID 651391
2-[4-(2,6-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900810
2-[4-(2,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922209
2-[4-(3,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922210
1-(2,4-Dichloro-phenoxy)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 3152400
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-nitrophenoxy)-2-propanol
CID 2884829
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
3,3'-[1,3-phenylenebis(oxy)]bis[1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-propanol]
CID 3468009

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (CID 22331396) is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccc(F)cc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is AETYPCYDFNGCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10-7-11(2)17(16-10)8-13(18)9-19-14-5-3-12(15)4-6-14/h3-7,13,18H,8-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 264.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 22331396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).