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

C22H23FN4O2 — CID 20867240

IUPAC1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCNCC2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-4-2-3-17(13-19)26-22(28)20-14-25-27(18-7-5-16(23)6-8-18)21(20)15-9-11-24-12-10-15/h2-8,13-15,24H,9-12H2,1H3,(H,26,28)
InChIKeyNGRZZSJLSKOMER-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.74
Rot. Bonds5

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

1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20867240) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20867240
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCNCC2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-4-2-3-17(13-19)26-22(28)20-14-25-27(18-7-5-16(23)6-8-18)21(20)15-9-11-24-12-10-15/h2-8,13-15,24H,9-12H2,1H3,(H,26,28)
InChIKeyNGRZZSJLSKOMER-UHFFFAOYSA-N
XLogP3.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20867240) is 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCNCC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is NGRZZSJLSKOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-19-4-2-3-17(13-19)26-22(28)20-14-25-27(18-7-5-16(23)6-8-18)21(20)15-9-11-24-12-10-15/h2-8,13-15,24H,9-12H2,1H3,(H,26,28).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).