5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol

C12H23N3O3S — CID 165473024

IUPAC5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
SMILESCCCNCC(O)CCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H23N3O3S/c1-3-6-13-8-11(16)5-4-7-15-10-12(9-14-15)19(2,17)18/h9-11,13,16H,3-8H2,1-2H3
InChIKeyXRXXHMNGHYQFSP-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.43
Rot. Bonds9

About 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol

5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol (PubChem CID 165473024) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
PubChem CID165473024
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol
SMILESCCCNCC(O)CCCn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H23N3O3S/c1-3-6-13-8-11(16)5-4-7-15-10-12(9-14-15)19(2,17)18/h9-11,13,16H,3-8H2,1-2H3
InChIKeyXRXXHMNGHYQFSP-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031917
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
2,2-dimethyl-6-(4-methylsulfonylpyrazol-1-yl)hexanimidamide
CID 165480993
2-(4-methylsulfonylpyrazol-1-yl)pentan-1-amine
CID 165477577

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol?
The IUPAC name of 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol (CID 165473024) is 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol.
What is the SMILES notation for 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol?
The canonical SMILES for 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol is CCCNCC(O)CCCn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol?
The InChIKey is XRXXHMNGHYQFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-3-6-13-8-11(16)5-4-7-15-10-12(9-14-15)19(2,17)18/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol?
5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol has a molecular weight of 289.40 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpyrazol-1-yl)-1-(propylamino)pentan-2-ol is sourced from PubChem (CID 165473024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).