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

C14H17ClF3N5O2 — CID 19532067

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
SMILESCCOCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C14H17ClF3N5O2/c1-4-25-7-22-6-10(5-19-22)20-13(24)9(3)23-8(2)11(15)12(21-23)14(16,17)18/h5-6,9H,4,7H2,1-3H3,(H,20,24)
InChIKeyXSCIJNQIBAJLCI-UHFFFAOYSA-N
MW379.77 g/mol
LogP3.25
Rot. Bonds6

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide (PubChem CID 19532067) has the molecular formula C14H17ClF3N5O2 and a molecular weight of 379.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
PubChem CID19532067
Molecular FormulaC14H17ClF3N5O2
Molecular Weight379.77 g/mol
Exact Mass379.10
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
SMILESCCOCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C14H17ClF3N5O2/c1-4-25-7-22-6-10(5-19-22)20-13(24)9(3)23-8(2)11(15)12(21-23)14(16,17)18/h5-6,9H,4,7H2,1-3H3,(H,20,24)
InChIKeyXSCIJNQIBAJLCI-UHFFFAOYSA-N
XLogP3.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279312
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19532065
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19538358
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19537438
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19532027
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 19531891
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19537959
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 110279376

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide (CID 19532067) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide is CCOCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
The InChIKey is XSCIJNQIBAJLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O2/c1-4-25-7-22-6-10(5-19-22)20-13(24)9(3)23-8(2)11(15)12(21-23)14(16,17)18/h5-6,9H,4,7H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide has a molecular weight of 379.77 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19532067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).