2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine

C8H15N3O2S — CID 53421965

IUPAC2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCS(O)(O)C2)n1
InChIInChI=1S/C8H15N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7,12-13H,2-3,5,9H2,1H3
InChIKeyNAICHDNRYUTNAA-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.47
Rot. Bonds1

About 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine

2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine (PubChem CID 53421965) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine
PubChem CID53421965
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C2CCS(O)(O)C2)n1
InChIInChI=1S/C8H15N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7,12-13H,2-3,5,9H2,1H3
InChIKeyNAICHDNRYUTNAA-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine (CID 53421965) is 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(C2CCS(O)(O)C2)n1.
What is the InChIKey of 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine?
The InChIKey is NAICHDNRYUTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-4-8(9)11(10-6)7-2-3-14(12,13)5-7/h4,7,12-13H,2-3,5,9H2,1H3.
What are the key properties of 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine?
2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine has a molecular weight of 217.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dihydroxythiolan-3-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 53421965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).