N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C16H19FN4O3 — CID 86829133

IUPACN-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCOc1cc(F)ccc1NC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C16H19FN4O3/c1-11(21-8-4-7-18-21)16(23)20(2)10-15(22)19-13-6-5-12(17)9-14(13)24-3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyZIWCUVDPXLZSGR-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 86829133) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID86829133
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCOc1cc(F)ccc1NC(=O)CN(C)C(=O)C(C)n1cccn1
InChIInChI=1S/C16H19FN4O3/c1-11(21-8-4-7-18-21)16(23)20(2)10-15(22)19-13-6-5-12(17)9-14(13)24-3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyZIWCUVDPXLZSGR-UHFFFAOYSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
CID 86988555
methyl 2-[3-fluoro-N-(2-pyrazol-1-ylpropanoyl)anilino]acetate
CID 71863309
N-methyl-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 60523894
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-[2-[(2,4-dimethylphenyl)methylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86823431
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 51124046
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86853291
N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide
CID 134048647

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 86829133) is N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is COc1cc(F)ccc1NC(=O)CN(C)C(=O)C(C)n1cccn1.
What is the InChIKey of N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is ZIWCUVDPXLZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-11(21-8-4-7-18-21)16(23)20(2)10-15(22)19-13-6-5-12(17)9-14(13)24-3/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 334.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86829133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).