(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H23N5O — CID 4270515

IUPAC(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H23N5O/c31-25(29-17-15-28(16-18-29)23-13-7-8-14-26-23)22-19-30(21-11-5-2-6-12-21)27-24(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2
InChIKeyXUWYSQMGAWAZQW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.90
Rot. Bonds4

About (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 4270515) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID4270515
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H23N5O/c31-25(29-17-15-28(16-18-29)23-13-7-8-14-26-23)22-19-30(21-11-5-2-6-12-21)27-24(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2
InChIKeyXUWYSQMGAWAZQW-UHFFFAOYSA-N
XLogP3.90
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 4270515) is (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XUWYSQMGAWAZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(29-17-15-28(16-18-29)23-13-7-8-14-26-23)22-19-30(21-11-5-2-6-12-21)27-24(22)20-9-3-1-4-10-20/h1-14,19H,15-18H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 409.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4270515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).