4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol

C15H17FN2O — CID 83069798

IUPAC4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1cc(C2(O)CCc3c(F)cccc32)cn1
InChIInChI=1S/C15H17FN2O/c1-2-8-18-10-11(9-17-18)15(19)7-6-12-13(15)4-3-5-14(12)16/h3-5,9-10,19H,2,6-8H2,1H3
InChIKeyXFYBOADJZBFNMB-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.61
Rot. Bonds3

About 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol

4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol (PubChem CID 83069798) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
PubChem CID83069798
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1cc(C2(O)CCc3c(F)cccc32)cn1
InChIInChI=1S/C15H17FN2O/c1-2-8-18-10-11(9-17-18)15(19)7-6-12-13(15)4-3-5-14(12)16/h3-5,9-10,19H,2,6-8H2,1H3
InChIKeyXFYBOADJZBFNMB-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 46191560
Pdhk-IN-7
CID 46191615
4-[1-(2,2-Dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492537
4-(1-Methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492674
4-[1-(2-Hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492860
2-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol
CID 46190787
2-(Hydroxymethyl)-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 46190788
(+)-3-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propionic acid
CID 46191561
(+)-4-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-butyric acid
CID 46191616
(+)-2-[4-(2-fluoro-9-hydroxy-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propane-1,3-diol
CID 46191617
(+)-2-hydroxymethyl-2-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propane-1,3-diol
CID 46191618
(+)-2-[4-(2-fluoro-9-hydroxy-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-2-hydroxymethyl-propane-1,3-diol
CID 46191677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol (CID 83069798) is 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol is CCCn1cc(C2(O)CCc3c(F)cccc32)cn1.
What is the InChIKey of 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
The InChIKey is XFYBOADJZBFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-8-18-10-11(9-17-18)15(19)7-6-12-13(15)4-3-5-14(12)16/h3-5,9-10,19H,2,6-8H2,1H3.
What are the key properties of 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol has a molecular weight of 260.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).