2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide

C8H7ClF5N3O — CID 97178848

IUPAC2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C8H7ClF5N3O/c9-1-6(18)16-5-2-15-17(3-5)4-7(10,11)8(12,13)14/h2-3H,1,4H2,(H,16,18)
InChIKeyORNOFSQHCAMSJW-UHFFFAOYSA-N
MW291.61 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide

2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide (PubChem CID 97178848) has the molecular formula C8H7ClF5N3O and a molecular weight of 291.61 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide
PubChem CID97178848
Molecular FormulaC8H7ClF5N3O
Molecular Weight291.61 g/mol
Exact Mass291.02
IUPAC Name2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C8H7ClF5N3O/c9-1-6(18)16-5-2-15-17(3-5)4-7(10,11)8(12,13)14/h2-3H,1,4H2,(H,16,18)
InChIKeyORNOFSQHCAMSJW-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112
2-chloro-6-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzamide
CID 95741363
(2S)-3-[4-[(2-chloroacetyl)amino]pyrazol-1-yl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 167284258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide (CID 97178848) is 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide is O=C(CCl)Nc1cnn(CC(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide?
The InChIKey is ORNOFSQHCAMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF5N3O/c9-1-6(18)16-5-2-15-17(3-5)4-7(10,11)8(12,13)14/h2-3H,1,4H2,(H,16,18).
What are the key properties of 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide?
2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide has a molecular weight of 291.61 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 97178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).