2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide

C7H8ClF2N3O — CID 166429258

IUPAC2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide
SMILESO=C(CCl)NCc1ccn(C(F)F)n1
InChIInChI=1S/C7H8ClF2N3O/c8-3-6(14)11-4-5-1-2-13(12-5)7(9)10/h1-2,7H,3-4H2,(H,11,14)
InChIKeyVMLANDJATXKNMU-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.13
Rot. Bonds4

About 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide

2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide (PubChem CID 166429258) has the molecular formula C7H8ClF2N3O and a molecular weight of 223.61 g/mol. Its IUPAC name is 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide
PubChem CID166429258
Molecular FormulaC7H8ClF2N3O
Molecular Weight223.61 g/mol
Exact Mass223.03
IUPAC Name2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide
SMILESO=C(CCl)NCc1ccn(C(F)F)n1
InChIInChI=1S/C7H8ClF2N3O/c8-3-6(14)11-4-5-1-2-13(12-5)7(9)10/h1-2,7H,3-4H2,(H,11,14)
InChIKeyVMLANDJATXKNMU-UHFFFAOYSA-N
XLogP1.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
CID 175976138
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-3-methylbutan-1-amine
CID 122168886
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]butan-1-amine
CID 122168967
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 154856521
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
N-[[2-[1-(difluoromethyl)pyrazol-3-yl]-6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 168965176
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
CID 122167116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide (CID 166429258) is 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide is O=C(CCl)NCc1ccn(C(F)F)n1.
What is the InChIKey of 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide?
The InChIKey is VMLANDJATXKNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O/c8-3-6(14)11-4-5-1-2-13(12-5)7(9)10/h1-2,7H,3-4H2,(H,11,14).
What are the key properties of 2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide?
2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide has a molecular weight of 223.61 g/mol, XLogP of 1.13, 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-(difluoromethyl)pyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 166429258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).