2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide

C16H16ClF4N3O2 — CID 19535701

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)cc1
InChIInChI=1S/C16H16ClF4N3O2/c1-3-26-10-6-4-9(5-7-10)22-16(25)8(2)24-13(15(20)21)11(17)12(23-24)14(18)19/h4-8,14-15H,3H2,1-2H3,(H,22,25)
InChIKeyZLXSPKPQYNRNCC-UHFFFAOYSA-N
MW393.77 g/mol
LogP5.01
Rot. Bonds7

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide (PubChem CID 19535701) has the molecular formula C16H16ClF4N3O2 and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
PubChem CID19535701
Molecular FormulaC16H16ClF4N3O2
Molecular Weight393.77 g/mol
Exact Mass393.09
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)cc1
InChIInChI=1S/C16H16ClF4N3O2/c1-3-26-10-6-4-9(5-7-10)22-16(25)8(2)24-13(15(20)21)11(17)12(23-24)14(18)19/h4-8,14-15H,3H2,1-2H3,(H,22,25)
InChIKeyZLXSPKPQYNRNCC-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.77
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 19526063
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19535664
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535845
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19535713
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide
CID 19535784
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide
CID 19532283
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide (CID 19535701) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)C(C)n2nc(C(F)F)c(Cl)c2C(F)F)cc1.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is ZLXSPKPQYNRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N3O2/c1-3-26-10-6-4-9(5-7-10)22-16(25)8(2)24-13(15(20)21)11(17)12(23-24)14(18)19/h4-8,14-15H,3H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 393.77 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 19535701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).