N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide

C7H7ClF3N3O — CID 19283453

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1cc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15)
InChIKeyZHGCPWQCBISJCH-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.22
Rot. Bonds3

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 19283453) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID19283453
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1cc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15)
InChIKeyZHGCPWQCBISJCH-UHFFFAOYSA-N
XLogP1.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloropyrazol-1-yl)ethanone
CID 23261570
2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49670618
N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91785250
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19283458
2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292380
N-[3-(4-bromopyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19297551
2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328076
N-[3-(4-chloropyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19330317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 19283453) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCn1cc(Cl)cn1)C(F)(F)F.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZHGCPWQCBISJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-5-3-13-14(4-5)2-1-12-6(15)7(9,10)11/h3-4H,1-2H2,(H,12,15).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 241.60 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).