1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide

C21H16FN5O2 — CID 46478747

IUPAC1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cnccn3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c1-14-19(12-25-27(14)17-6-2-15(22)3-7-17)21(28)26-16-4-8-18(9-5-16)29-20-13-23-10-11-24-20/h2-13H,1H3,(H,26,28)
InChIKeyCBNBKOHRGBFBJJ-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide (PubChem CID 46478747) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide
PubChem CID46478747
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cnccn3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H16FN5O2/c1-14-19(12-25-27(14)17-6-2-15(22)3-7-17)21(28)26-16-4-8-18(9-5-16)29-20-13-23-10-11-24-20/h2-13H,1H3,(H,26,28)
InChIKeyCBNBKOHRGBFBJJ-UHFFFAOYSA-N
XLogP4.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-(4-pyrazin-2-yloxyphenyl)-2-pyrazol-1-ylbenzamide
CID 47047378
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
4-(dimethylamino)-3-fluoro-N-(4-pyrazin-2-yloxyphenyl)benzamide
CID 47783535
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 24629643
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122313530
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide (CID 46478747) is 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3cnccn3)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide?
The InChIKey is CBNBKOHRGBFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-14-19(12-25-27(14)17-6-2-15(22)3-7-17)21(28)26-16-4-8-18(9-5-16)29-20-13-23-10-11-24-20/h2-13H,1H3,(H,26,28).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(4-pyrazin-2-yloxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46478747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).