1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine

C8H13N3O2S — CID 94547847

IUPAC1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H13N3O2S/c1-6-4-8(9)10-11(6)7-2-3-14(12,13)5-7/h4,7H,2-3,5H2,1H3,(H2,9,10)/t7-/m0/s1
InChIKeyOLEXNYVVJKFWIQ-ZETCQYMHSA-N
MW215.28 g/mol
LogP0.13
Rot. Bonds1

About 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine

1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine (PubChem CID 94547847) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
PubChem CID94547847
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C8H13N3O2S/c1-6-4-8(9)10-11(6)7-2-3-14(12,13)5-7/h4,7H,2-3,5H2,1H3,(H2,9,10)/t7-/m0/s1
InChIKeyOLEXNYVVJKFWIQ-ZETCQYMHSA-N
XLogP0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine with MolForge

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Related Compounds

1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036
1-[4-[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110390732
5-cyclopentyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43336829
N-cycloheptyl-1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110390775
1-(1,1-dioxothiolan-3-yl)-5-methyl-N-phenylpyrazole-3-carboxamide
CID 110390785
1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine
CID 129382111
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159055
3-(2,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-amine
CID 93296243
1-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118750
1-(1,1-dioxothiolan-3-yl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110390778
1-(1,1-dioxothiolan-3-yl)-3-pentylpyrazol-5-amine
CID 43159048

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine (CID 94547847) is 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine?
The InChIKey is OLEXNYVVJKFWIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-4-8(9)10-11(6)7-2-3-14(12,13)5-7/h4,7H,2-3,5H2,1H3,(H2,9,10)/t7-/m0/s1.
What are the key properties of 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine?
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine has a molecular weight of 215.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 94547847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).