2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C14H14ClF3N4OS — CID 19527240

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)sc1C
InChIInChI=1S/C14H14ClF3N4OS/c1-6-7(2)24-13(19-6)20-9(23)5-22-11(8-3-4-8)10(15)12(21-22)14(16,17)18/h8H,3-5H2,1-2H3,(H,19,20,23)
InChIKeyRSQOXHJHSOLFTO-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.14
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19527240) has the molecular formula C14H14ClF3N4OS and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19527240
Molecular FormulaC14H14ClF3N4OS
Molecular Weight378.81 g/mol
Exact Mass378.05
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)sc1C
InChIInChI=1S/C14H14ClF3N4OS/c1-6-7(2)24-13(19-6)20-9(23)5-22-11(8-3-4-8)10(15)12(21-22)14(16,17)18/h8H,3-5H2,1-2H3,(H,19,20,23)
InChIKeyRSQOXHJHSOLFTO-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19527240) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)sc1C.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RSQOXHJHSOLFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4OS/c1-6-7(2)24-13(19-6)20-9(23)5-22-11(8-3-4-8)10(15)12(21-22)14(16,17)18/h8H,3-5H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 378.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19527240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).