4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline

C23H23FN4O — CID 143902811

IUPAC4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc(-c3cccc(OCC4=C(F)C=CC(C)N4)c3)n[nH]2)cc1
InChIInChI=1S/C23H23FN4O/c1-15-6-11-20(24)23(26-15)14-29-19-5-3-4-17(12-19)22-13-21(27-28-22)16-7-9-18(25-2)10-8-16/h3-13,15,25-26H,14H2,1-2H3,(H,27,28)
InChIKeyNYEYXCQELJSDGO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.89
Rot. Bonds6

About 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline

4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline (PubChem CID 143902811) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline
PubChem CID143902811
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc(-c3cccc(OCC4=C(F)C=CC(C)N4)c3)n[nH]2)cc1
InChIInChI=1S/C23H23FN4O/c1-15-6-11-20(24)23(26-15)14-29-19-5-3-4-17(12-19)22-13-21(27-28-22)16-7-9-18(25-2)10-8-16/h3-13,15,25-26H,14H2,1-2H3,(H,27,28)
InChIKeyNYEYXCQELJSDGO-UHFFFAOYSA-N
XLogP4.89
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812423
3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-ethyl-1-[(3-methoxyphenyl)methyl]urea
CID 68565470
1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68567893
N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952
4-{5-[4-(benzyloxy)phenyl]-1H-pyrazol-3-yl}piperidine
CID 13795334
N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839649
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 44547369
US20230357269, Example 45
CID 166836220
N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839621
N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839629
N-(4-fluorobenzyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839632
N-(2,4-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839633

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline?
The IUPAC name of 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline (CID 143902811) is 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline.
What is the SMILES notation for 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline?
The canonical SMILES for 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline is CNc1ccc(-c2cc(-c3cccc(OCC4=C(F)C=CC(C)N4)c3)n[nH]2)cc1.
What is the InChIKey of 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline?
The InChIKey is NYEYXCQELJSDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15-6-11-20(24)23(26-15)14-29-19-5-3-4-17(12-19)22-13-21(27-28-22)16-7-9-18(25-2)10-8-16/h3-13,15,25-26H,14H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline?
4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline has a molecular weight of 390.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(5-fluoro-2-methyl-1,2-dihydropyridin-6-yl)methoxy]phenyl]-1H-pyrazol-5-yl]-N-methylaniline is sourced from PubChem (CID 143902811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).