2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide

C10H13ClF3N3OS — CID 19531891

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCS
InChIInChI=1S/C10H13ClF3N3OS/c1-5-7(11)8(10(12,13)14)16-17(5)6(2)9(18)15-3-4-19/h6,19H,3-4H2,1-2H3,(H,15,18)
InChIKeyWKMKNPRDRSXECP-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide (PubChem CID 19531891) has the molecular formula C10H13ClF3N3OS and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
PubChem CID19531891
Molecular FormulaC10H13ClF3N3OS
Molecular Weight315.75 g/mol
Exact Mass315.04
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCS
InChIInChI=1S/C10H13ClF3N3OS/c1-5-7(11)8(10(12,13)14)16-17(5)6(2)9(18)15-3-4-19/h6,19H,3-4H2,1-2H3,(H,15,18)
InChIKeyWKMKNPRDRSXECP-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate
CID 19531877
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19532076
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4770126
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769596
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854374
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279312
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
CID 110280816
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
CID 19532067
methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280778
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-methylbutanoic acid
CID 86711673
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957548

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide (CID 19531891) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCS.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide?
The InChIKey is WKMKNPRDRSXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3OS/c1-5-7(11)8(10(12,13)14)16-17(5)6(2)9(18)15-3-4-19/h6,19H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide has a molecular weight of 315.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 19531891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).