1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide

C22H17FN4O2 — CID 11574604

IUPAC1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2-c2ccncc2)c1
InChIInChI=1S/C22H17FN4O2/c1-29-19-7-3-5-17(13-19)26-22(28)20-14-25-27(18-6-2-4-16(23)12-18)21(20)15-8-10-24-11-9-15/h2-14H,1H3,(H,26,28)
InChIKeyPPGSLVPVTKXFBO-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide

1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 11574604) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID11574604
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2-c2ccncc2)c1
InChIInChI=1S/C22H17FN4O2/c1-29-19-7-3-5-17(13-19)26-22(28)20-14-25-27(18-6-2-4-16(23)12-18)21(20)15-8-10-24-11-9-15/h2-14H,1H3,(H,26,28)
InChIKeyPPGSLVPVTKXFBO-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 95091546
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143637

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide (CID 11574604) is 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2-c2ccncc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is PPGSLVPVTKXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-29-19-7-3-5-17(13-19)26-22(28)20-14-25-27(18-6-2-4-16(23)12-18)21(20)15-8-10-24-11-9-15/h2-14H,1H3,(H,26,28).
What are the key properties of 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 11574604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).