(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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Related Compounds

Piberaline
CID 65975
FR-194921
CID 9821511
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
US10022354, Example 46
CID 121279427

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).