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

C12H13F3N4OS — CID 3461509

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1
InChIInChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20)
InChIKeyLBWWRDQHKUUCPN-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.94
Rot. Bonds4

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

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3461509) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3461509
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1
InChIInChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20)
InChIKeyLBWWRDQHKUUCPN-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 843568
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
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-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-thiazolamine
CID 565992
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
1,5-dimethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 16952207
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30278540
3-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-N-1,3-thiazol-2-ylpropanamide
CID 50954475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 3461509) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LBWWRDQHKUUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 318.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).