5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one

C22H24ClFN4O — CID 130256228

IUPAC5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one
SMILESC=C(CCC)c1nn(C)cc1C(Nc1cc(F)c(=O)n(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClFN4O/c1-5-6-14(2)20-18(13-28(4)26-20)21(15-7-9-16(23)10-8-15)25-17-11-19(24)22(29)27(3)12-17/h7-13,21,25H,2,5-6H2,1,3-4H3
InChIKeyZMRPLLZIUNJOBX-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.93
Rot. Bonds7

About 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one

5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one (PubChem CID 130256228) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one
PubChem CID130256228
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one
SMILESC=C(CCC)c1nn(C)cc1C(Nc1cc(F)c(=O)n(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClFN4O/c1-5-6-14(2)20-18(13-28(4)26-20)21(15-7-9-16(23)10-8-15)25-17-11-19(24)22(29)27(3)12-17/h7-13,21,25H,2,5-6H2,1,3-4H3
InChIKeyZMRPLLZIUNJOBX-UHFFFAOYSA-N
XLogP4.93
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2-chloro-4-fluorophenyl)methyl]-3-(1,4-dimethylpyrazol-5-yl)propanamide
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CID 145967207
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CID 1224643
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
2-chloro-N-[4-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358856
N-[1-(4-chlorobenzyl)-3-piperidinyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 24794132
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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one (CID 130256228) is 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one is C=C(CCC)c1nn(C)cc1C(Nc1cc(F)c(=O)n(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is ZMRPLLZIUNJOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-5-6-14(2)20-18(13-28(4)26-20)21(15-7-9-16(23)10-8-15)25-17-11-19(24)22(29)27(3)12-17/h7-13,21,25H,2,5-6H2,1,3-4H3.
What are the key properties of 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one?
5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 414.91 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 130256228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).