2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol

C19H14F4N6O — CID 71143715

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol
SMILESOC(Cc1ccn[nH]1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-n2nccn2)cn1
InChIInChI=1S/C19H14F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-6-25-28-13)19(22,23)17-4-2-14(11-24-17)29-26-7-8-27-29/h1-9,11,30H,10H2,(H,25,28)
InChIKeyKNJQQGOSLOZXSQ-UHFFFAOYSA-N
MW418.35 g/mol
LogP2.89
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 71143715) has the molecular formula C19H14F4N6O and a molecular weight of 418.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID71143715
Molecular FormulaC19H14F4N6O
Molecular Weight418.35 g/mol
Exact Mass418.12
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol
SMILESOC(Cc1ccn[nH]1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-n2nccn2)cn1
InChIInChI=1S/C19H14F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-6-25-28-13)19(22,23)17-4-2-14(11-24-17)29-26-7-8-27-29/h1-9,11,30H,10H2,(H,25,28)
InChIKeyKNJQQGOSLOZXSQ-UHFFFAOYSA-N
XLogP2.89
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol (CID 71143715) is 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol is OC(Cc1ccn[nH]1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-n2nccn2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is KNJQQGOSLOZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-6-25-28-13)19(22,23)17-4-2-14(11-24-17)29-26-7-8-27-29/h1-9,11,30H,10H2,(H,25,28).
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 418.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-pyrazol-5-yl)-1-[5-(triazol-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 71143715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).