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

C14H17ClF3N5O — CID 19554156

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C14H17ClF3N5O/c1-3-22-8-10(7-20-22)6-19-11(24)4-5-23-9(2)12(15)13(21-23)14(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,24)
InChIKeyZKRYEHUZQRRZNL-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.79
Rot. Bonds6

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

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide (PubChem CID 19554156) has the molecular formula C14H17ClF3N5O and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide
PubChem CID19554156
Molecular FormulaC14H17ClF3N5O
Molecular Weight363.77 g/mol
Exact Mass363.11
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C14H17ClF3N5O/c1-3-22-8-10(7-20-22)6-19-11(24)4-5-23-9(2)12(15)13(21-23)14(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,24)
InChIKeyZKRYEHUZQRRZNL-UHFFFAOYSA-N
XLogP2.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4866946
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(5-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 17021840
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 17023044
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 19575660
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}propanamide
CID 19584493
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 4770349
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 4770579
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772844
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-YL]-N~1~-[(1-methyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4773500

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide (CID 19554156) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide is CCn1cc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)cn1.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is ZKRYEHUZQRRZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O/c1-3-22-8-10(7-20-22)6-19-11(24)4-5-23-9(2)12(15)13(21-23)14(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,24).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 363.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19554156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).