1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C18H22FN3O — CID 154757470

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CC=C(c2ccnn2C)CC1
InChIInChI=1S/C18H22FN3O/c1-13-11-15(19)3-4-16(13)18(23)12-22-9-6-14(7-10-22)17-5-8-20-21(17)2/h3-6,8,11,18,23H,7,9-10,12H2,1-2H3
InChIKeyGEAJLQPCXJHXOX-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 154757470) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID154757470
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CC=C(c2ccnn2C)CC1
InChIInChI=1S/C18H22FN3O/c1-13-11-15(19)3-4-16(13)18(23)12-22-9-6-14(7-10-22)17-5-8-20-21(17)2/h3-6,8,11,18,23H,7,9-10,12H2,1-2H3
InChIKeyGEAJLQPCXJHXOX-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 154757470) is 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is Cc1cc(F)ccc1C(O)CN1CC=C(c2ccnn2C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is GEAJLQPCXJHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13-11-15(19)3-4-16(13)18(23)12-22-9-6-14(7-10-22)17-5-8-20-21(17)2/h3-6,8,11,18,23H,7,9-10,12H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 315.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 154757470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).