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

C20H19ClF4N4O — CID 19535833

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H19ClF4N4O/c1-11(13-6-5-7-14(10-13)28-8-3-4-9-28)26-20(30)12(2)29-17(19(24)25)15(21)16(27-29)18(22)23/h3-12,18-19H,1-2H3,(H,26,30)
InChIKeyUSNUBQITQRYBFA-UHFFFAOYSA-N
MW442.84 g/mol
LogP5.64
Rot. Bonds7

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

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide (PubChem CID 19535833) has the molecular formula C20H19ClF4N4O and a molecular weight of 442.84 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
PubChem CID19535833
Molecular FormulaC20H19ClF4N4O
Molecular Weight442.84 g/mol
Exact Mass442.12
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H19ClF4N4O/c1-11(13-6-5-7-14(10-13)28-8-3-4-9-28)26-20(30)12(2)29-17(19(24)25)15(21)16(27-29)18(22)23/h3-12,18-19H,1-2H3,(H,26,30)
InChIKeyUSNUBQITQRYBFA-UHFFFAOYSA-N
XLogP5.64
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.84
LogP ≤ 55.64
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-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
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-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide
CID 19535865
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19523453
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19479372
N-(2-benzoyl-4-chlorophenyl)-2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanamide
CID 19535673
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
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-(4-ethoxyphenyl)propanamide
CID 19535701
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19519226

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide (CID 19535833) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide is CC(NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F)c1cccc(-n2cccc2)c1.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide?
The InChIKey is USNUBQITQRYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N4O/c1-11(13-6-5-7-14(10-13)28-8-3-4-9-28)26-20(30)12(2)29-17(19(24)25)15(21)16(27-29)18(22)23/h3-12,18-19H,1-2H3,(H,26,30).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide has a molecular weight of 442.84 g/mol, XLogP of 5.64, 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-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 19535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).