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

C14H15F3N4OS — CID 4772034

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(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)
InChIKeyRJYMIAKHTSXFGH-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.74
Rot. Bonds4

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4772034) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID4772034
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(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)
InChIKeyRJYMIAKHTSXFGH-UHFFFAOYSA-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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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 72153935
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4770504
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772943
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 1231848
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylpropanamide
CID 3461509
N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 3543174

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 4772034) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)s1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RJYMIAKHTSXFGH-UHFFFAOYSA-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).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
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 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4772034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).