3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol

C19H26N2O3S — CID 11382897

IUPAC3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCCO)nn2C2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-14-16(6-5-13-22)20-21(19)17-7-3-2-4-8-17/h9-12,14,17,22H,2-8,13H2,1H3
InChIKeyPNTDPENBGJLQBJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.38
Rot. Bonds6

About 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol

3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol (PubChem CID 11382897) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
PubChem CID11382897
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCCO)nn2C2CCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-14-16(6-5-13-22)20-21(19)17-7-3-2-4-8-17/h9-12,14,17,22H,2-8,13H2,1H3
InChIKeyPNTDPENBGJLQBJ-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol (CID 11382897) is 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol is CS(=O)(=O)c1ccc(-c2cc(CCCO)nn2C2CCCCC2)cc1.
What is the InChIKey of 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is PNTDPENBGJLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-14-16(6-5-13-22)20-21(19)17-7-3-2-4-8-17/h9-12,14,17,22H,2-8,13H2,1H3.
What are the key properties of 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 362.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 11382897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).