2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol

C10H17N3OS — CID 115925984

IUPAC2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol
SMILESCc1cc(NC2CCSC2)n(CCO)n1
InChIInChI=1S/C10H17N3OS/c1-8-6-10(13(12-8)3-4-14)11-9-2-5-15-7-9/h6,9,11,14H,2-5,7H2,1H3
InChIKeyBYRDSFBFXBMLLD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.10
Rot. Bonds4

About 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol

2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol (PubChem CID 115925984) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol
PubChem CID115925984
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol
SMILESCc1cc(NC2CCSC2)n(CCO)n1
InChIInChI=1S/C10H17N3OS/c1-8-6-10(13(12-8)3-4-14)11-9-2-5-15-7-9/h6,9,11,14H,2-5,7H2,1H3
InChIKeyBYRDSFBFXBMLLD-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
CID 115653189
2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70777576
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
3-methyl-N-(thiolan-3-yl)triazol-4-amine
CID 130486465
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
CID 115926085
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
2-[5-(cyclopentylamino)-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 110928779
2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
CID 115925988
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol (CID 115925984) is 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol is Cc1cc(NC2CCSC2)n(CCO)n1.
What is the InChIKey of 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol?
The InChIKey is BYRDSFBFXBMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-6-10(13(12-8)3-4-14)11-9-2-5-15-7-9/h6,9,11,14H,2-5,7H2,1H3.
What are the key properties of 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol?
2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 115925984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).