2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol

C15H19FN2O2 — CID 114556975

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)Cc1cccc(OC)c1F
InChIInChI=1S/C15H19FN2O2/c1-3-9-18-12(7-8-17-18)13(19)10-11-5-4-6-14(20-2)15(11)16/h4-8,13,19H,3,9-10H2,1-2H3
InChIKeySCLRFUDKNBODPU-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 114556975) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID114556975
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)Cc1cccc(OC)c1F
InChIInChI=1S/C15H19FN2O2/c1-3-9-18-12(7-8-17-18)13(19)10-11-5-4-6-14(20-2)15(11)16/h4-8,13,19H,3,9-10H2,1-2H3
InChIKeySCLRFUDKNBODPU-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
2-(2-fluoro-3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104793189
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556932
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857493
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol (CID 114556975) is 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(O)Cc1cccc(OC)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is SCLRFUDKNBODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-9-18-12(7-8-17-18)13(19)10-11-5-4-6-14(20-2)15(11)16/h4-8,13,19H,3,9-10H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 278.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114556975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).