2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

C16H21FN2O2 — CID 79445313

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESCCc1cc(CC(CO)(CO)c2ccccc2F)n(C)n1
InChIInChI=1S/C16H21FN2O2/c1-3-12-8-13(19(2)18-12)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3
InChIKeyJEESSMHWURHNBW-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.59
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (PubChem CID 79445313) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
PubChem CID79445313
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
SMILESCCc1cc(CC(CO)(CO)c2ccccc2F)n(C)n1
InChIInChI=1S/C16H21FN2O2/c1-3-12-8-13(19(2)18-12)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3
InChIKeyJEESSMHWURHNBW-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107053917
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
CID 114910889
2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
CID 106506639
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 115940840
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813604

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol (CID 79445313) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is CCc1cc(CC(CO)(CO)c2ccccc2F)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
The InChIKey is JEESSMHWURHNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-12-8-13(19(2)18-12)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol has a molecular weight of 292.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 79445313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).