1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol

C15H18F2N2O — CID 115816380

IUPAC1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
SMILESCCn1nc(C)cc1CC(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O/c1-3-19-12(6-10(2)18-19)9-13(20)7-11-4-5-14(16)15(17)8-11/h4-6,8,13,20H,3,7,9H2,1-2H3
InChIKeyUXGXPHPLQJCCBF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol

1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol (PubChem CID 115816380) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
PubChem CID115816380
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
SMILESCCn1nc(C)cc1CC(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O/c1-3-19-12(6-10(2)18-19)9-13(20)7-11-4-5-14(16)15(17)8-11/h4-6,8,13,20H,3,7,9H2,1-2H3
InChIKeyUXGXPHPLQJCCBF-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 105109545
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 82809655
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol (CID 115816380) is 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol is CCn1nc(C)cc1CC(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is UXGXPHPLQJCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-3-19-12(6-10(2)18-19)9-13(20)7-11-4-5-14(16)15(17)8-11/h4-6,8,13,20H,3,7,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 280.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 115816380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).