4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one

C19H18ClFN4O — CID 159506683

IUPAC4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one
SMILESCC(=O)CCc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(CF)n2)c1
InChIInChI=1S/C19H18ClFN4O/c1-13(26)2-3-14-10-18(22-16-6-4-15(20)5-7-16)23-19(11-14)25-9-8-17(12-21)24-25/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyMABPTTPYFNEFMP-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.66
Rot. Bonds7

About 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one

4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one (PubChem CID 159506683) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one
PubChem CID159506683
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one
SMILESCC(=O)CCc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(CF)n2)c1
InChIInChI=1S/C19H18ClFN4O/c1-13(26)2-3-14-10-18(22-16-6-4-15(20)5-7-16)23-19(11-14)25-9-8-17(12-21)24-25/h4-11H,2-3,12H2,1H3,(H,22,23)
InChIKeyMABPTTPYFNEFMP-UHFFFAOYSA-N
XLogP4.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol
CID 24968602
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
2,4-dichloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072769
N-[2-(4-chlorophenyl)ethyl]-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 109372808
N-[4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860025
1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol
CID 140823874
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072741
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
CID 50739348
4-[[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194294
1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one?
The IUPAC name of 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one (CID 159506683) is 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one?
The canonical SMILES for 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one is CC(=O)CCc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(CF)n2)c1.
What is the InChIKey of 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one?
The InChIKey is MABPTTPYFNEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-13(26)2-3-14-10-18(22-16-6-4-15(20)5-7-16)23-19(11-14)25-9-8-17(12-21)24-25/h4-11H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one?
4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one has a molecular weight of 372.83 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one is sourced from PubChem (CID 159506683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).