3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

C11H16N4S — CID 82880873

IUPAC3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)(C)Cc1cc(N)n(-c2nccs2)n1
InChIInChI=1S/C11H16N4S/c1-11(2,3)7-8-6-9(12)15(14-8)10-13-4-5-16-10/h4-6H,7,12H2,1-3H3
InChIKeyNHLOSQYGYOQRMI-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.50
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 82880873) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID82880873
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)(C)Cc1cc(N)n(-c2nccs2)n1
InChIInChI=1S/C11H16N4S/c1-11(2,3)7-8-6-9(12)15(14-8)10-13-4-5-16-10/h4-6H,7,12H2,1-3H3
InChIKeyNHLOSQYGYOQRMI-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (CID 82880873) is 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is CC(C)(C)Cc1cc(N)n(-c2nccs2)n1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is NHLOSQYGYOQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-11(2,3)7-8-6-9(12)15(14-8)10-13-4-5-16-10/h4-6H,7,12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 236.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 82880873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).