3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C13H13F3N4OS — CID 4765796

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)10-7-9(8-1-2-8)20(19-10)5-3-11(21)18-12-17-4-6-22-12/h4,6-8H,1-3,5H2,(H,17,18,21)
InChIKeyCCICNKSRQNDZKR-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.26
Rot. Bonds5

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4765796) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4765796
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)10-7-9(8-1-2-8)20(19-10)5-3-11(21)18-12-17-4-6-22-12/h4,6-8H,1-3,5H2,(H,17,18,21)
InChIKeyCCICNKSRQNDZKR-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 4765796) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CCICNKSRQNDZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c14-13(15,16)10-7-9(8-1-2-8)20(19-10)5-3-11(21)18-12-17-4-6-22-12/h4,6-8H,1-3,5H2,(H,17,18,21).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).