2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol

C20H16BrF2N5O — CID 167421543

IUPAC2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol
SMILESOC(c1ccccc1)C(c1ccc(Br)cn1)n1cc(-c2ccnn2C(F)F)cn1
InChIInChI=1S/C20H16BrF2N5O/c21-15-6-7-16(24-11-15)18(19(29)13-4-2-1-3-5-13)27-12-14(10-26-27)17-8-9-25-28(17)20(22)23/h1-12,18-20,29H
InChIKeyYPMPSMKDWAEQOU-UHFFFAOYSA-N
MW460.28 g/mol
LogP4.62
Rot. Bonds6

About 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol

2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol (PubChem CID 167421543) has the molecular formula C20H16BrF2N5O and a molecular weight of 460.28 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol
PubChem CID167421543
Molecular FormulaC20H16BrF2N5O
Molecular Weight460.28 g/mol
Exact Mass459.05
IUPAC Name2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol
SMILESOC(c1ccccc1)C(c1ccc(Br)cn1)n1cc(-c2ccnn2C(F)F)cn1
InChIInChI=1S/C20H16BrF2N5O/c21-15-6-7-16(24-11-15)18(19(29)13-4-2-1-3-5-13)27-12-14(10-26-27)17-8-9-25-28(17)20(22)23/h1-12,18-20,29H
InChIKeyYPMPSMKDWAEQOU-UHFFFAOYSA-N
XLogP4.62
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-{3-[3-(3,6-dimethyl-2-pyrazinyl)phenyl]-1H-pyrazol-1-yl}-1-phenylethanol
CID 31125679
1-[3-(4-Fluorophenyl)-1-propan-2-yl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992352
1-[3-(3,4-Difluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992359
1-[3-(4-Fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992360
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-4-phenylbutan-1-ol
CID 21992362
1-[1-Ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992375
(E)-1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylprop-2-en-1-ol
CID 21992388
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992400
3-(4-fluorophenyl)-1-methyl-alpha-phenyl-4-(4-pyridinyl)-1H-pyrazole-5-methanol
CID 22037677
1-[1-[2-(4-Fluorophenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]propan-1-ol
CID 68229951
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylprop-2-en-1-ol
CID 69641669
2,2,2-Trifluoro-1-[6-(2-methylpyrazol-3-yl)pyridin-3-yl]ethanol
CID 71294394

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol (CID 167421543) is 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol is OC(c1ccccc1)C(c1ccc(Br)cn1)n1cc(-c2ccnn2C(F)F)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol?
The InChIKey is YPMPSMKDWAEQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2N5O/c21-15-6-7-16(24-11-15)18(19(29)13-4-2-1-3-5-13)27-12-14(10-26-27)17-8-9-25-28(17)20(22)23/h1-12,18-20,29H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol?
2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol has a molecular weight of 460.28 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 167421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).