3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

C11H17N3O2S — CID 43159055

IUPAC3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(C2CCC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O2S/c12-11-6-10(8-2-1-3-8)13-14(11)9-4-5-17(15,16)7-9/h6,8-9H,1-5,7,12H2
InChIKeyJWXZHARWWCIDOI-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.09
Rot. Bonds2

About 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (PubChem CID 43159055) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
PubChem CID43159055
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(C2CCC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O2S/c12-11-6-10(8-2-1-3-8)13-14(11)9-4-5-17(15,16)7-9/h6,8-9H,1-5,7,12H2
InChIKeyJWXZHARWWCIDOI-UHFFFAOYSA-N
XLogP1.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62906041
1-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118750
3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336856
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazol-5-amine
CID 104638663
5-cyclopentyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43336829
3-(2,5-dibromothiophen-3-yl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 107962643
3-(2,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-amine
CID 93296243
5-[5-amino-1-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1H-pyridin-2-one
CID 136710584
1-(1,1-dioxothiolan-3-yl)-3-pentylpyrazol-5-amine
CID 43159048
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine
CID 43159044
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 106861410

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (CID 43159055) is 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is Nc1cc(C2CCC2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The InChIKey is JWXZHARWWCIDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-6-10(8-2-1-3-8)13-14(11)9-4-5-17(15,16)7-9/h6,8-9H,1-5,7,12H2.
What are the key properties of 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine has a molecular weight of 255.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43159055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).