N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide

C23H19FN4O2 — CID 15513076

IUPACN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-19-8-2-15(3-9-19)14-20(29)26-23-21(16-10-12-25-13-11-16)22(27-28-23)17-4-6-18(24)7-5-17/h2-13H,14H2,1H3,(H2,26,27,28,29)
InChIKeyHOLZKUICROHVSQ-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.47
Rot. Bonds6

About N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide

N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 15513076) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID15513076
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-19-8-2-15(3-9-19)14-20(29)26-23-21(16-10-12-25-13-11-16)22(27-28-23)17-4-6-18(24)7-5-17/h2-13H,14H2,1H3,(H2,26,27,28,29)
InChIKeyHOLZKUICROHVSQ-UHFFFAOYSA-N
XLogP4.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
2-(4-methoxyphenyl)-N-[6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 58082451
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
Glutaminase-IN-1
CID 137319720
N-(4-{[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl}phenyl)acetamide
CID 11785059
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
2-(4-methoxyphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53320947
4-(4-Fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950883
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (CID 15513076) is N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HOLZKUICROHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-30-19-8-2-15(3-9-19)14-20(29)26-23-21(16-10-12-25-13-11-16)22(27-28-23)17-4-6-18(24)7-5-17/h2-13H,14H2,1H3,(H2,26,27,28,29).
What are the key properties of N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15513076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).