3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine

C14H23N3O2S — CID 83154715

IUPAC3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
SMILESCCc1c(C(C)C2CC2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C14H23N3O2S/c1-3-12-13(9(2)10-4-5-10)16-17(14(12)15)11-6-7-20(18,19)8-11/h9-11H,3-8,15H2,1-2H3
InChIKeyWJHCJCHOJWOXIU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds4

About 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine

3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine (PubChem CID 83154715) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
PubChem CID83154715
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
SMILESCCc1c(C(C)C2CC2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C14H23N3O2S/c1-3-12-13(9(2)10-4-5-10)16-17(14(12)15)11-6-7-20(18,19)8-11/h9-11H,3-8,15H2,1-2H3
InChIKeyWJHCJCHOJWOXIU-UHFFFAOYSA-N
XLogP1.90
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519686
2-(1,1-dioxothiolan-3-yl)-4-ethyl-5-(2-methylpropyl)pyrazol-3-amine
CID 43670933
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519673
3-(2,2-dimethylcyclopropyl)-1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylpyrazol-5-amine
CID 107001776
2-(1,1-dioxothiolan-3-yl)-5-(2-methoxyethyl)-4-propylpyrazol-3-amine
CID 79406032
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(5-methylfuran-2-yl)pyrazol-5-amine
CID 43670909
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036
3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
CID 66021750
5-cyclopentyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43336829
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 62728955
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide
CID 82698827
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62730792

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine?
The IUPAC name of 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine (CID 83154715) is 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine?
The canonical SMILES for 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine is CCc1c(C(C)C2CC2)nn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine?
The InChIKey is WJHCJCHOJWOXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-12-13(9(2)10-4-5-10)16-17(14(12)15)11-6-7-20(18,19)8-11/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine?
3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine has a molecular weight of 297.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine is sourced from PubChem (CID 83154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).