3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol

C11H21N3OS — CID 106160757

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1cc(C)nn1C
InChIInChI=1S/C11H21N3OS/c1-8-5-10(14(3)13-8)6-12-9(2)11(7-15)16-4/h5,9,11-12,15H,6-7H2,1-4H3
InChIKeyFJPUZLRGXBRMBI-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.93
Rot. Bonds6

About 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol

3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol (PubChem CID 106160757) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
PubChem CID106160757
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1cc(C)nn1C
InChIInChI=1S/C11H21N3OS/c1-8-5-10(14(3)13-8)6-12-9(2)11(7-15)16-4/h5,9,11-12,15H,6-7H2,1-4H3
InChIKeyFJPUZLRGXBRMBI-UHFFFAOYSA-N
XLogP0.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-[(1-methylpyrazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 111440339
2-methylsulfanyl-3-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 106160499
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79025656
N-[(2,5-dimethylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106229374
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
3-(1H-imidazol-5-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 115642715

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol (CID 106160757) is 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NCc1cc(C)nn1C.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol?
The InChIKey is FJPUZLRGXBRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8-5-10(14(3)13-8)6-12-9(2)11(7-15)16-4/h5,9,11-12,15H,6-7H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol?
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106160757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).