5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol

C13H25N3OS — CID 106810815

IUPAC5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1cc(C)nn1C)NC
InChIInChI=1S/C13H25N3OS/c1-5-13(10-17,14-3)7-6-8-18-12-9-11(2)15-16(12)4/h9,14,17H,5-8,10H2,1-4H3
InChIKeyZXQYLIJXIXGKSL-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.96
Rot. Bonds8

About 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol

5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 106810815) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID106810815
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1cc(C)nn1C)NC
InChIInChI=1S/C13H25N3OS/c1-5-13(10-17,14-3)7-6-8-18-12-9-11(2)15-16(12)4/h9,14,17H,5-8,10H2,1-4H3
InChIKeyZXQYLIJXIXGKSL-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol
CID 106810814
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(methylamino)pentanoic acid
CID 55071207
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64806113
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanoate
CID 62408578
2-ethyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 106810940
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-1-amine
CID 62579927
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810962
2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403777
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
ethyl 2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoate
CID 62403592

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol (CID 106810815) is 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol is CCC(CO)(CCCSc1cc(C)nn1C)NC.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is ZXQYLIJXIXGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-13(10-17,14-3)7-6-8-18-12-9-11(2)15-16(12)4/h9,14,17H,5-8,10H2,1-4H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol?
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 271.43 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106810815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).