5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H20N4O — CID 134307466

IUPAC5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(N3CCCCC3)c2n1
InChIInChI=1S/C18H20N4O/c1-13-12-15(23)22-18(19-13)17(21-10-6-3-7-11-21)16(20-22)14-8-4-2-5-9-14/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3
InChIKeyDMYCCSFWRWHHHJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.99
Rot. Bonds2

About 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307466) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307466
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(N3CCCCC3)c2n1
InChIInChI=1S/C18H20N4O/c1-13-12-15(23)22-18(19-13)17(21-10-6-3-7-11-21)16(20-22)14-8-4-2-5-9-14/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3
InChIKeyDMYCCSFWRWHHHJ-UHFFFAOYSA-N
XLogP2.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813282
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1232838
6-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813279
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
2-(4-Iodo-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 632552

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307466) is 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccccc3)c(N3CCCCC3)c2n1.
What is the InChIKey of 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DMYCCSFWRWHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-12-15(23)22-18(19-13)17(21-10-6-3-7-11-21)16(20-22)14-8-4-2-5-9-14/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3.
What are the key properties of 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 308.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).