1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine

C8H13N3O2S — CID 129382111

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)cc1N
InChIInChI=1S/C8H13N3O2S/c1-6-8(9)4-11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3/t7-/m1/s1
InChIKeyFASQCSVRSZQIPL-SSDOTTSWSA-N
MW215.28 g/mol
LogP0.13
Rot. Bonds1

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine

1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine (PubChem CID 129382111) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine
PubChem CID129382111
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)cc1N
InChIInChI=1S/C8H13N3O2S/c1-6-8(9)4-11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3/t7-/m1/s1
InChIKeyFASQCSVRSZQIPL-SSDOTTSWSA-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

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Related Compounds

3-(2,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 83204152
3-(5-bromofuran-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 104653695
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
(3R)-3-(3-iodo-1,2,4-triazol-1-yl)thiolane 1,1-dioxide
CID 97049415
1-[1-(1,1-dioxothiolan-3-yl)triazol-4-yl]ethanamine
CID 114419780
3-(4-methylpyrazol-1-yl)thiane 1,1-dioxide
CID 84734851
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 67050635
2-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]aniline
CID 63338604
(3R)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 99775691
3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
CID 61057040
3-cycloheptyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde
CID 104508628
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine (CID 129382111) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine is Cc1nn([C@@H]2CCS(=O)(=O)C2)cc1N.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine?
The InChIKey is FASQCSVRSZQIPL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-8(9)4-11(10-6)7-2-3-14(12,13)5-7/h4,7H,2-3,5,9H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-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-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 129382111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).