1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane

C14H21N3OS — CID 162038894

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane
SMILESCCC.Cc1cc(C)n(CC(=O)Cc2nccs2)n1
InChIInChI=1S/C11H13N3OS.C3H8/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11;1-3-2/h3-5H,6-7H2,1-2H3;3H2,1-2H3
InChIKeyYWZUISCWOOUQIT-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.18
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane

1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane (PubChem CID 162038894) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane
PubChem CID162038894
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane
SMILESCCC.Cc1cc(C)n(CC(=O)Cc2nccs2)n1
InChIInChI=1S/C11H13N3OS.C3H8/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11;1-3-2/h3-5H,6-7H2,1-2H3;3H2,1-2H3
InChIKeyYWZUISCWOOUQIT-UHFFFAOYSA-N
XLogP3.18
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane (CID 162038894) is 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane is CCC.Cc1cc(C)n(CC(=O)Cc2nccs2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane?
The InChIKey is YWZUISCWOOUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS.C3H8/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11;1-3-2/h3-5H,6-7H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane?
1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane has a molecular weight of 279.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one;propane is sourced from PubChem (CID 162038894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).