[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol

C16H10Cl2F2N2O — CID 118484799

IUPAC[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H10Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7,16,23H,(H,21,22)
InChIKeyDCPUDBPFGLCJTQ-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.74
Rot. Bonds3

About [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol

[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol (PubChem CID 118484799) has the molecular formula C16H10Cl2F2N2O and a molecular weight of 355.17 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
PubChem CID118484799
Molecular FormulaC16H10Cl2F2N2O
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC Name[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H10Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7,16,23H,(H,21,22)
InChIKeyDCPUDBPFGLCJTQ-UHFFFAOYSA-N
XLogP4.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?
The IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol (CID 118484799) is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?
The canonical SMILES for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?
The InChIKey is DCPUDBPFGLCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7,16,23H,(H,21,22).
What are the key properties of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol?
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol has a molecular weight of 355.17 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 118484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).