N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide

C25H22ClFN4O2 — CID 11963181

IUPACN-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22ClFN4O2/c1-17-12-24(29-25(32)14-22-4-2-3-11-28-22)30-31(17)15-19-13-20(26)7-10-23(19)33-16-18-5-8-21(27)9-6-18/h2-13H,14-16H2,1H3,(H,29,30,32)
InChIKeyGOMBIOROORGTHL-UHFFFAOYSA-N
MW464.93 g/mol
LogP5.19
Rot. Bonds8

About N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide

N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 11963181) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide
PubChem CID11963181
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC NameN-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22ClFN4O2/c1-17-12-24(29-25(32)14-22-4-2-3-11-28-22)30-31(17)15-19-13-20(26)7-10-23(19)33-16-18-5-8-21(27)9-6-18/h2-13H,14-16H2,1H3,(H,29,30,32)
InChIKeyGOMBIOROORGTHL-UHFFFAOYSA-N
XLogP5.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 11963140
1-[[2-[(4-chlorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11257347
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
N-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methoxy]benzamide
CID 140539404
[1-[[5-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl] hydrogen carbonate
CID 69143642
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 19486813
1-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-4-(pyridin-2-ylmethyl)piperazin-2-one;dihydrochloride
CID 158920307
tert-butyl-[[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]methyl]carbamic acid
CID 68910317
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604
1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 86688727

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide (CID 11963181) is N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide is Cc1cc(NC(=O)Cc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide?
The InChIKey is GOMBIOROORGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c1-17-12-24(29-25(32)14-22-4-2-3-11-28-22)30-31(17)15-19-13-20(26)7-10-23(19)33-16-18-5-8-21(27)9-6-18/h2-13H,14-16H2,1H3,(H,29,30,32).
What are the key properties of N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide?
N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 464.93 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazol-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 11963181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).