1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol

C19H17F3N2O — CID 118080389

IUPAC1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)(c2ccc(F)c(F)c2)C(C)n2cc(F)cn2)cc1
InChIInChI=1S/C19H17F3N2O/c1-12-3-5-14(6-4-12)19(25,13(2)24-11-16(20)10-23-24)15-7-8-17(21)18(22)9-15/h3-11,13,25H,1-2H3
InChIKeyVEBMLRNYDQNTRS-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.11
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol

1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 118080389) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol
PubChem CID118080389
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)(c2ccc(F)c(F)c2)C(C)n2cc(F)cn2)cc1
InChIInChI=1S/C19H17F3N2O/c1-12-3-5-14(6-4-12)19(25,13(2)24-11-16(20)10-23-24)15-7-8-17(21)18(22)9-15/h3-11,13,25H,1-2H3
InChIKeyVEBMLRNYDQNTRS-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol (CID 118080389) is 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)(c2ccc(F)c(F)c2)C(C)n2cc(F)cn2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is VEBMLRNYDQNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-12-3-5-14(6-4-12)19(25,13(2)24-11-16(20)10-23-24)15-7-8-17(21)18(22)9-15/h3-11,13,25H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol?
1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 346.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 118080389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).