[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone

C26H23N3O3 — CID 24682960

IUPAC[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H23N3O3/c30-25(19-8-3-1-4-9-19)20-13-15-28(16-14-20)26(31)23-18-22(24-12-7-17-32-24)27-29(23)21-10-5-2-6-11-21/h1-12,17-18,20H,13-16H2
InChIKeyNITOKEGOMKGMMN-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.87
Rot. Bonds5

About [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 24682960) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID24682960
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H23N3O3/c30-25(19-8-3-1-4-9-19)20-13-15-28(16-14-20)26(31)23-18-22(24-12-7-17-32-24)27-29(23)21-10-5-2-6-11-21/h1-12,17-18,20H,13-16H2
InChIKeyNITOKEGOMKGMMN-UHFFFAOYSA-N
XLogP4.87
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone (CID 24682960) is [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1.
What is the InChIKey of [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is NITOKEGOMKGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(19-8-3-1-4-9-19)20-13-15-28(16-14-20)26(31)23-18-22(24-12-7-17-32-24)27-29(23)21-10-5-2-6-11-21/h1-12,17-18,20H,13-16H2.
What are the key properties of [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 425.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 24682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).