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

C14H15F3N4OS — CID 51390476

IUPAC(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)s1
InChIInChI=1S/C14H15F3N4OS/c1-7-6-18-13(23-7)19-12(22)8(2)21-10(9-3-4-9)5-11(20-21)14(15,16)17/h5-6,8-9H,3-4H2,1-2H3,(H,18,19,22)/t8-/m1/s1
InChIKeyRJYMIAKHTSXFGH-MRVPVSSYSA-N
MW344.36 g/mol
LogP3.74
Rot. Bonds4

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

(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 51390476) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID51390476
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)s1
InChIInChI=1S/C14H15F3N4OS/c1-7-6-18-13(23-7)19-12(22)8(2)21-10(9-3-4-9)5-11(20-21)14(15,16)17/h5-6,8-9H,3-4H2,1-2H3,(H,18,19,22)/t8-/m1/s1
InChIKeyRJYMIAKHTSXFGH-MRVPVSSYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 51390476) is (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)s1.
What is the InChIKey of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RJYMIAKHTSXFGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-7-6-18-13(23-7)19-12(22)8(2)21-10(9-3-4-9)5-11(20-21)14(15,16)17/h5-6,8-9H,3-4H2,1-2H3,(H,18,19,22)/t8-/m1/s1.
What are the key properties of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 344.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 51390476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).