2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

C22H19FN4O — CID 21036717

IUPAC2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESCc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1
InChIInChI=1S/C22H19FN4O/c1-15-14-18(8-11-25-15)22-20(16-6-9-24-10-7-16)21(26-27(22)12-13-28)17-2-4-19(23)5-3-17/h2-11,14,28H,12-13H2,1H3
InChIKeyPJHFFCBTGMSORO-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.11
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 21036717) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID21036717
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESCc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1
InChIInChI=1S/C22H19FN4O/c1-15-14-18(8-11-25-15)22-20(16-6-9-24-10-7-16)21(26-27(22)12-13-28)17-2-4-19(23)5-3-17/h2-11,14,28H,12-13H2,1H3
InChIKeyPJHFFCBTGMSORO-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 21036717) is 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is Cc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is PJHFFCBTGMSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-15-14-18(8-11-25-15)22-20(16-6-9-24-10-7-16)21(26-27(22)12-13-28)17-2-4-19(23)5-3-17/h2-11,14,28H,12-13H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 374.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 21036717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).