2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol

C22H19FN4O — CID 22953659

IUPAC2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27)
InChIKeyLJBLHYNALIAOMK-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.42
Rot. Bonds6

About 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol

2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol (PubChem CID 22953659) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
PubChem CID22953659
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27)
InChIKeyLJBLHYNALIAOMK-UHFFFAOYSA-N
XLogP4.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol (CID 22953659) is 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol is OCC(Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
The InChIKey is LJBLHYNALIAOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-8-6-16(7-9-18)22-19(13-25-27-22)17-10-11-24-21(12-17)26-20(14-28)15-4-2-1-3-5-15/h1-13,20,28H,14H2,(H,24,26)(H,25,27).
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol?
2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol has a molecular weight of 374.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 22953659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).