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

C12H11F3N4OS — CID 843409

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1
InChIInChI=1S/C12H11F3N4OS/c13-12(14,15)9-5-8(7-1-2-7)19(18-9)6-10(20)17-11-16-3-4-21-11/h3-5,7H,1-2,6H2,(H,16,17,20)
InChIKeyRZIURDFTOZXNMZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.87
Rot. Bonds4

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 843409) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID843409
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1
InChIInChI=1S/C12H11F3N4OS/c13-12(14,15)9-5-8(7-1-2-7)19(18-9)6-10(20)17-11-16-3-4-21-11/h3-5,7H,1-2,6H2,(H,16,17,20)
InChIKeyRZIURDFTOZXNMZ-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 843409) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RZIURDFTOZXNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c13-12(14,15)9-5-8(7-1-2-7)19(18-9)6-10(20)17-11-16-3-4-21-11/h3-5,7H,1-2,6H2,(H,16,17,20).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 843409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).