N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C10H12ClF4N3O2 — CID 91785250

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H12ClF4N3O2/c11-7-3-17-18(4-7)2-1-16-8(19)5-20-6-10(14,15)9(12)13/h3-4,9H,1-2,5-6H2,(H,16,19)
InChIKeyZJAQRCJNKPQCLF-UHFFFAOYSA-N
MW317.67 g/mol
LogP1.57
Rot. Bonds8

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91785250) has the molecular formula C10H12ClF4N3O2 and a molecular weight of 317.67 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91785250
Molecular FormulaC10H12ClF4N3O2
Molecular Weight317.67 g/mol
Exact Mass317.06
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H12ClF4N3O2/c11-7-3-17-18(4-7)2-1-16-8(19)5-20-6-10(14,15)9(12)13/h3-4,9H,1-2,5-6H2,(H,16,19)
InChIKeyZJAQRCJNKPQCLF-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19283453
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19283458
N-[3-(4-chloropyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19330317
N-[3-(4-chloropyrazol-1-yl)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19330318
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propoxyacetamide
CID 60322976
N-[(1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86828934
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205723
2-(4-chloro-1H-pyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 178371578
2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19524869
Methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate
CID 19524971
2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 19525019

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91785250) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is ZJAQRCJNKPQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF4N3O2/c11-7-3-17-18(4-7)2-1-16-8(19)5-20-6-10(14,15)9(12)13/h3-4,9H,1-2,5-6H2,(H,16,19).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 317.67 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91785250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).