2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

C19H16FN5O — CID 135763156

IUPAC2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1-c1cnc[nH]1
InChIInChI=1S/C19H16FN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(16-11-22-12-23-16)25(24-18)9-10-26/h1-8,11-12,26H,9-10H2,(H,22,23)
InChIKeyBKYRGTPLJUCUGT-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.13
Rot. Bonds5

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

2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 135763156) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID135763156
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1-c1cnc[nH]1
InChIInChI=1S/C19H16FN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(16-11-22-12-23-16)25(24-18)9-10-26/h1-8,11-12,26H,9-10H2,(H,22,23)
InChIKeyBKYRGTPLJUCUGT-UHFFFAOYSA-N
XLogP3.13
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 22037601
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674061
(2E,4Z)-3-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]-5-iodopenta-2,4-dienal
CID 163579650
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
CID 18674103
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine
CID 152648474
4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 67107247

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 135763156) is 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1-c1cnc[nH]1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is BKYRGTPLJUCUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(16-11-22-12-23-16)25(24-18)9-10-26/h1-8,11-12,26H,9-10H2,(H,22,23).
What are the key properties of 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 349.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-(1H-imidazol-5-yl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 135763156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).