2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide

C16H13Cl3F3N3O — CID 19535247

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cccc1Cl)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H13Cl3F3N3O/c1-7(15(26)23-12-9(17)3-2-4-10(12)18)25-13(8-5-6-8)11(19)14(24-25)16(20,21)22/h2-4,7-8H,5-6H2,1H3,(H,23,26)
InChIKeySPSDGCBIXAGUQX-UHFFFAOYSA-N
MW426.65 g/mol
LogP5.94
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 19535247) has the molecular formula C16H13Cl3F3N3O and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID19535247
Molecular FormulaC16H13Cl3F3N3O
Molecular Weight426.65 g/mol
Exact Mass425.01
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cccc1Cl)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H13Cl3F3N3O/c1-7(15(26)23-12-9(17)3-2-4-10(12)18)25-13(8-5-6-8)11(19)14(24-25)16(20,21)22/h2-4,7-8H,5-6H2,1H3,(H,23,26)
InChIKeySPSDGCBIXAGUQX-UHFFFAOYSA-N
XLogP5.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19535220
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 19535224
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
CID 4770620
(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
CID 51390862
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)propanamide
CID 19531741
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19531688
4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 19531738
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19531671
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19531769
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536257
(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide
CID 51390553
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19531579

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide (CID 19535247) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide is CC(C(=O)Nc1c(Cl)cccc1Cl)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is SPSDGCBIXAGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3F3N3O/c1-7(15(26)23-12-9(17)3-2-4-10(12)18)25-13(8-5-6-8)11(19)14(24-25)16(20,21)22/h2-4,7-8H,5-6H2,1H3,(H,23,26).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 426.65 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 19535247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).