1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine

C24H29N5O — CID 131935910

IUPAC1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
SMILESc1ccc(-n2cc(CN3CCN(C4CCOCC4)CC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-2-4-23(5-3-1)29-19-21(24(26-29)20-6-10-25-11-7-20)18-27-12-14-28(15-13-27)22-8-16-30-17-9-22/h1-7,10-11,19,22H,8-9,12-18H2
InChIKeyJEJIHGWPYQPANT-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.23
Rot. Bonds5

About 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine

1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine (PubChem CID 131935910) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
PubChem CID131935910
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
SMILESc1ccc(-n2cc(CN3CCN(C4CCOCC4)CC3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-2-4-23(5-3-1)29-19-21(24(26-29)20-6-10-25-11-7-20)18-27-12-14-28(15-13-27)22-8-16-30-17-9-22/h1-7,10-11,19,22H,8-9,12-18H2
InChIKeyJEJIHGWPYQPANT-UHFFFAOYSA-N
XLogP3.23
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine (CID 131935910) is 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine is c1ccc(-n2cc(CN3CCN(C4CCOCC4)CC3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The InChIKey is JEJIHGWPYQPANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-4-23(5-3-1)29-19-21(24(26-29)20-6-10-25-11-7-20)18-27-12-14-28(15-13-27)22-8-16-30-17-9-22/h1-7,10-11,19,22H,8-9,12-18H2.
What are the key properties of 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine has a molecular weight of 403.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 131935910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).