2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide

C15H15ClF3N5O — CID 123418040

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide
SMILESC=CC(=CC)n1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C15H15ClF3N5O/c1-4-11(5-2)24-7-10(6-20-24)21-12(25)8-23-9(3)13(16)14(22-23)15(17,18)19/h4-7H,1,8H2,2-3H3,(H,21,25)
InChIKeyFDUKHIWTWVEVTN-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide (PubChem CID 123418040) has the molecular formula C15H15ClF3N5O and a molecular weight of 373.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide
PubChem CID123418040
Molecular FormulaC15H15ClF3N5O
Molecular Weight373.77 g/mol
Exact Mass373.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide
SMILESC=CC(=CC)n1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C15H15ClF3N5O/c1-4-11(5-2)24-7-10(6-20-24)21-12(25)8-23-9(3)13(16)14(22-23)15(17,18)19/h4-7H,1,8H2,2-3H3,(H,21,25)
InChIKeyFDUKHIWTWVEVTN-UHFFFAOYSA-N
XLogP3.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
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-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}propanamide
CID 19584493
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-pyrazolylpropan-1-one
CID 4770294
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770494
4-Chloro-5-cyclopropyl-N-(1,5-dimethyl-1H-pyrazol-4-yl)-alpha-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 4770620
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4770756
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4770832
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-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4773174
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 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide (CID 123418040) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide is C=CC(=CC)n1cc(NC(=O)Cn2nc(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-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide?
The InChIKey is FDUKHIWTWVEVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O/c1-4-11(5-2)24-7-10(6-20-24)21-12(25)8-23-9(3)13(16)14(22-23)15(17,18)19/h4-7H,1,8H2,2-3H3,(H,21,25).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide has a molecular weight of 373.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-penta-1,3-dien-3-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 123418040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).