N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

C19H18ClFN4O2 — CID 90465334

IUPACN-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(CCCl)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H18ClFN4O2/c1-27-12-18(26)23-17-10-14(6-8-22-17)16-11-25(9-7-20)24-19(16)13-2-4-15(21)5-3-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,23,26)
InChIKeyDOPFFZJPXHQQLO-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.57
Rot. Bonds7

About N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 90465334) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID90465334
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC NameN-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(CCCl)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H18ClFN4O2/c1-27-12-18(26)23-17-10-14(6-8-22-17)16-11-25(9-7-20)24-19(16)13-2-4-15(21)5-3-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,23,26)
InChIKeyDOPFFZJPXHQQLO-UHFFFAOYSA-N
XLogP3.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465277
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465171
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465219
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465344
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (CID 90465334) is N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(-c2cn(CCCl)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is DOPFFZJPXHQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-27-12-18(26)23-17-10-14(6-8-22-17)16-11-25(9-7-20)24-19(16)13-2-4-15(21)5-3-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,23,26).
What are the key properties of N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 388.83 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 90465334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).