2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H20N4O2 — CID 166606545

IUPAC2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(CN3CCOCC3)nc2c1-c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-13-17(14-5-3-2-4-6-14)18-19-15(11-16(23)22(18)20-13)12-21-7-9-24-10-8-21/h2-6,11,20H,7-10,12H2,1H3
InChIKeyUZDVXIQEJDGPHT-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166606545) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166606545
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(CN3CCOCC3)nc2c1-c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-13-17(14-5-3-2-4-6-14)18-19-15(11-16(23)22(18)20-13)12-21-7-9-24-10-8-21/h2-6,11,20H,7-10,12H2,1H3
InChIKeyUZDVXIQEJDGPHT-UHFFFAOYSA-N
XLogP1.83
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-2-methylsulfanyl-5-(morpholin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21255021
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4898037
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4893614
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-(4-phenylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171133939
2-chloro-5-(chloromethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974644
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23613912
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973506
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166606545) is 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(CN3CCOCC3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UZDVXIQEJDGPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-17(14-5-3-2-4-6-14)18-19-15(11-16(23)22(18)20-13)12-21-7-9-24-10-8-21/h2-6,11,20H,7-10,12H2,1H3.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).