1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol

C15H19FN2O2 — CID 114872310

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCn1ncc(OC)c1C(O)(CC)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-4-15(19,11-7-6-8-12(16)9-11)14-13(20-3)10-17-18(14)5-2/h6-10,19H,4-5H2,1-3H3
InChIKeyWRCFMQKHOSXROY-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.70
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 114872310) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID114872310
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCn1ncc(OC)c1C(O)(CC)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-4-15(19,11-7-6-8-12(16)9-11)14-13(20-3)10-17-18(14)5-2/h6-10,19H,4-5H2,1-3H3
InChIKeyWRCFMQKHOSXROY-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872490
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636352
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
CID 114872383
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol (CID 114872310) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol is CCn1ncc(OC)c1C(O)(CC)c1cccc(F)c1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is WRCFMQKHOSXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-15(19,11-7-6-8-12(16)9-11)14-13(20-3)10-17-18(14)5-2/h6-10,19H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 278.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114872310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).