1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine

C14H19N3O3S — CID 43670909

IUPAC1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine
SMILESCCc1c(-c2ccc(C)o2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C14H19N3O3S/c1-3-11-13(12-5-4-9(2)20-12)16-17(14(11)15)10-6-7-21(18,19)8-10/h4-5,10H,3,6-8,15H2,1-2H3
InChIKeyOCORYRLEFGZNOL-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.96
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine

1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine (PubChem CID 43670909) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine
PubChem CID43670909
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine
SMILESCCc1c(-c2ccc(C)o2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C14H19N3O3S/c1-3-11-13(12-5-4-9(2)20-12)16-17(14(11)15)10-6-7-21(18,19)8-10/h4-5,10H,3,6-8,15H2,1-2H3
InChIKeyOCORYRLEFGZNOL-UHFFFAOYSA-N
XLogP1.96
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-4-ethyl-5-(2-methylpropyl)pyrazol-3-amine
CID 43670933
3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
CID 83154715
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519686
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(2-methylphenyl)pyrazol-5-amine
CID 43336845
2-(1,1-dioxothiolan-3-yl)-5-(2-methoxyethyl)-4-propylpyrazol-3-amine
CID 79406032
3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
CID 66021750
2-(1,1-dioxothiolan-3-yl)-5-[2-(furan-2-yl)ethyl]-4-methylpyrazol-3-amine
CID 43336832
3-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-5-amine
CID 63797071
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43336820
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-(5-bromofuran-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 104653695

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine (CID 43670909) is 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine is CCc1c(-c2ccc(C)o2)nn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine?
The InChIKey is OCORYRLEFGZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-11-13(12-5-4-9(2)20-12)16-17(14(11)15)10-6-7-21(18,19)8-10/h4-5,10H,3,6-8,15H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine has a molecular weight of 309.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43670909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).