5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol

C20H22FN3O — CID 22953933

IUPAC5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H22FN3O/c1-20(2,25)11-3-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(21)8-6-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyNJGGVOGFQYYTMY-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.37
Rot. Bonds6

About 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol

5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol (PubChem CID 22953933) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol
PubChem CID22953933
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H22FN3O/c1-20(2,25)11-3-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(21)8-6-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyNJGGVOGFQYYTMY-UHFFFAOYSA-N
XLogP4.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol?
The IUPAC name of 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol (CID 22953933) is 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol is CC(C)(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol?
The InChIKey is NJGGVOGFQYYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-20(2,25)11-3-4-17-18(14-9-12-22-13-10-14)19(24-23-17)15-5-7-16(21)8-6-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol?
5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol has a molecular weight of 339.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 22953933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).