(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone

C25H30N4O — CID 44526191

IUPAC(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(c3ccccn3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O/c1-25(2,3)23-17-22(29(27-23)18-19-9-5-4-6-10-19)24(30)28-15-12-20(13-16-28)21-11-7-8-14-26-21/h4-11,14,17,20H,12-13,15-16,18H2,1-3H3
InChIKeyAZLNOZIFKCTERN-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.64
Rot. Bonds4

About (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone

(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 44526191) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID44526191
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(c3ccccn3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O/c1-25(2,3)23-17-22(29(27-23)18-19-9-5-4-6-10-19)24(30)28-15-12-20(13-16-28)21-11-7-8-14-26-21/h4-11,14,17,20H,12-13,15-16,18H2,1-3H3
InChIKeyAZLNOZIFKCTERN-UHFFFAOYSA-N
XLogP4.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone (CID 44526191) is (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCC(c3ccccn3)CC2)n(Cc2ccccc2)n1.
What is the InChIKey of (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is AZLNOZIFKCTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-25(2,3)23-17-22(29(27-23)18-19-9-5-4-6-10-19)24(30)28-15-12-20(13-16-28)21-11-7-8-14-26-21/h4-11,14,17,20H,12-13,15-16,18H2,1-3H3.
What are the key properties of (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone?
(1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 402.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 44526191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).