1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol

C9H17N3OS — CID 64813400

IUPAC1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
SMILESCc1cc(SCCC(O)CN)n(C)n1
InChIInChI=1S/C9H17N3OS/c1-7-5-9(12(2)11-7)14-4-3-8(13)6-10/h5,8,13H,3-4,6,10H2,1-2H3
InChIKeyDKURGGWARUHOOM-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.53
Rot. Bonds5

About 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol

1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol (PubChem CID 64813400) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
PubChem CID64813400
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
SMILESCc1cc(SCCC(O)CN)n(C)n1
InChIInChI=1S/C9H17N3OS/c1-7-5-9(12(2)11-7)14-4-3-8(13)6-10/h5,8,13H,3-4,6,10H2,1-2H3
InChIKeyDKURGGWARUHOOM-UHFFFAOYSA-N
XLogP0.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypropanimidamide
CID 76943340
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)butanoate
CID 55145329
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403777
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
1,3-dimethyl-5-(2-phenylsulfanylethylsulfanyl)pyrazole
CID 79327096
4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
CID 62410502
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-2-amine
CID 62579734
1-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 64814234

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol?
The IUPAC name of 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol (CID 64813400) is 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol is Cc1cc(SCCC(O)CN)n(C)n1.
What is the InChIKey of 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol?
The InChIKey is DKURGGWARUHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7-5-9(12(2)11-7)14-4-3-8(13)6-10/h5,8,13H,3-4,6,10H2,1-2H3.
What are the key properties of 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol?
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 64813400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).