1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol

C22H18FN3O — CID 174424847

IUPAC1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H18FN3O/c1-22(27,17-5-3-2-4-6-17)21-19(15-11-13-24-14-12-15)20(25-26-21)16-7-9-18(23)10-8-16/h2-14,27H,1H3,(H,25,26)
InChIKeyIVVGLKFLPZSEQL-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.53
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol

1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol (PubChem CID 174424847) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
PubChem CID174424847
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H18FN3O/c1-22(27,17-5-3-2-4-6-17)21-19(15-11-13-24-14-12-15)20(25-26-21)16-7-9-18(23)10-8-16/h2-14,27H,1H3,(H,25,26)
InChIKeyIVVGLKFLPZSEQL-UHFFFAOYSA-N
XLogP4.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 59038044
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
CID 24821523
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
CID 71544125
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenethiol
CID 166490664
N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 22954069
8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 10173378
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopentan-1-amine
CID 22953598
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
CID 22953900
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol (CID 174424847) is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol is CC(O)(c1ccccc1)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol?
The InChIKey is IVVGLKFLPZSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-22(27,17-5-3-2-4-6-17)21-19(15-11-13-24-14-12-15)20(25-26-21)16-7-9-18(23)10-8-16/h2-14,27H,1H3,(H,25,26).
What are the key properties of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol?
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol has a molecular weight of 359.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 174424847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).