[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol

C15H18F2N2OS — CID 18619824

IUPAC[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N2OS/c1-4-13-14(8-20)18-19(9(2)3)15(13)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3
InChIKeyFEUMDMUQCUUOLA-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.95
Rot. Bonds5

About [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol

[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol (PubChem CID 18619824) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
PubChem CID18619824
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC Name[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N2OS/c1-4-13-14(8-20)18-19(9(2)3)15(13)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3
InChIKeyFEUMDMUQCUUOLA-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?
The IUPAC name of [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol (CID 18619824) is [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol is CCc1c(CO)nn(C(C)C)c1Sc1cc(F)cc(F)c1.
What is the InChIKey of [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?
The InChIKey is FEUMDMUQCUUOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-4-13-14(8-20)18-19(9(2)3)15(13)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3.
What are the key properties of [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?
[5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol has a molecular weight of 312.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 18619824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).