(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C26H25N5O — CID 22576752

IUPAC(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O/c32-26(24-18-23(28-29-24)22-12-7-13-27-19-22)31-16-14-30(15-17-31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2,(H,28,29)
InChIKeyNXRQNGNCCWMHBD-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.02
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 22576752) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID22576752
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O/c32-26(24-18-23(28-29-24)22-12-7-13-27-19-22)31-16-14-30(15-17-31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2,(H,28,29)
InChIKeyNXRQNGNCCWMHBD-UHFFFAOYSA-N
XLogP4.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 22576752) is (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is NXRQNGNCCWMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(24-18-23(28-29-24)22-12-7-13-27-19-22)31-16-14-30(15-17-31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2,(H,28,29).
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 22576752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).