3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol

C10H19N3OS — CID 104842276

IUPAC3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1cc(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-4-8(11)9(6-14)15-10-5-7(2)12-13(10)3/h5,8-9,14H,4,6,11H2,1-3H3
InChIKeyKUYDZMPLAFHLED-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.92
Rot. Bonds5

About 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol

3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol (PubChem CID 104842276) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol
PubChem CID104842276
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1cc(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-4-8(11)9(6-14)15-10-5-7(2)12-13(10)3/h5,8-9,14H,4,6,11H2,1-3H3
InChIKeyKUYDZMPLAFHLED-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 104842295
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
CID 62409941
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol?
The IUPAC name of 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol (CID 104842276) is 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol?
The canonical SMILES for 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol is CCC(N)C(CO)Sc1cc(C)nn1C.
What is the InChIKey of 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol?
The InChIKey is KUYDZMPLAFHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-8(11)9(6-14)15-10-5-7(2)12-13(10)3/h5,8-9,14H,4,6,11H2,1-3H3.
What are the key properties of 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol?
3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 104842276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).