5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

C24H32N4O2 — CID 159946101

IUPAC5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-16-23-27(12-5-13-28(23)25-19)24(30)9-8-22(29)17-20-10-14-26(15-11-20)18-21-6-3-2-4-7-21/h2-4,6-7,16,20H,5,8-15,17-18H2,1H3
InChIKeyNQWVPPAWXRURIR-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.58
Rot. Bonds7

About 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (PubChem CID 159946101) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
PubChem CID159946101
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-16-23-27(12-5-13-28(23)25-19)24(30)9-8-22(29)17-20-10-14-26(15-11-20)18-21-6-3-2-4-7-21/h2-4,6-7,16,20H,5,8-15,17-18H2,1H3
InChIKeyNQWVPPAWXRURIR-UHFFFAOYSA-N
XLogP3.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 161423168
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165652
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
CID 146949848
2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
CID 134706145
2-[3-(1-benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid;hydrochloride
CID 169490787
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one
CID 67836750
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (CID 159946101) is 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The InChIKey is NQWVPPAWXRURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19-16-23-27(12-5-13-28(23)25-19)24(30)9-8-22(29)17-20-10-14-26(15-11-20)18-21-6-3-2-4-7-21/h2-4,6-7,16,20H,5,8-15,17-18H2,1H3.
What are the key properties of 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione has a molecular weight of 408.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is sourced from PubChem (CID 159946101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).