2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol

C19H25N3O3S — CID 166637833

IUPAC2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol
SMILESO=S(=O)(C1CC1)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1
InChIInChI=1S/C19H25N3O3S/c23-12-9-15-1-3-16(4-2-15)17-13-20-22(14-17)18-7-10-21(11-8-18)26(24,25)19-5-6-19/h1-4,13-14,18-19,23H,5-12H2
InChIKeyFFCWITHZGYCMJP-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.21
Rot. Bonds6

About 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol

2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol (PubChem CID 166637833) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol
PubChem CID166637833
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol
SMILESO=S(=O)(C1CC1)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1
InChIInChI=1S/C19H25N3O3S/c23-12-9-15-1-3-16(4-2-15)17-13-20-22(14-17)18-7-10-21(11-8-18)26(24,25)19-5-6-19/h1-4,13-14,18-19,23H,5-12H2
InChIKeyFFCWITHZGYCMJP-UHFFFAOYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol (CID 166637833) is 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol is O=S(=O)(C1CC1)N1CCC(n2cc(-c3ccc(CCO)cc3)cn2)CC1.
What is the InChIKey of 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol?
The InChIKey is FFCWITHZGYCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-12-9-15-1-3-16(4-2-15)17-13-20-22(14-17)18-7-10-21(11-8-18)26(24,25)19-5-6-19/h1-4,13-14,18-19,23H,5-12H2.
What are the key properties of 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol?
2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol has a molecular weight of 375.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 166637833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).