N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

C30H25FN4O2 — CID 18674187

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H25FN4O2/c1-35-30(28(23-15-17-32-18-16-23)29(34-35)24-9-11-25(31)12-10-24)33-27(36)19-21-7-13-26(14-8-21)37-20-22-5-3-2-4-6-22/h2-18H,19-20H2,1H3,(H,33,36)
InChIKeyIVQOKOHZMLODJT-UHFFFAOYSA-N
MW492.55 g/mol
LogP6.05
Rot. Bonds8

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 18674187) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID18674187
Molecular FormulaC30H25FN4O2
Molecular Weight492.55 g/mol
Exact Mass492.20
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H25FN4O2/c1-35-30(28(23-15-17-32-18-16-23)29(34-35)24-9-11-25(31)12-10-24)33-27(36)19-21-7-13-26(14-8-21)37-20-22-5-3-2-4-6-22/h2-18H,19-20H2,1H3,(H,33,36)
InChIKeyIVQOKOHZMLODJT-UHFFFAOYSA-N
XLogP6.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 18674187) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is IVQOKOHZMLODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c1-35-30(28(23-15-17-32-18-16-23)29(34-35)24-9-11-25(31)12-10-24)33-27(36)19-21-7-13-26(14-8-21)37-20-22-5-3-2-4-6-22/h2-18H,19-20H2,1H3,(H,33,36).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 492.55 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 18674187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).