5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H12N4O2 — CID 15988640

IUPAC5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3nc(N)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C13H12N4O2/c1-19-9-4-2-8(3-5-9)10-6-12-15-11(14)7-13(18)17(12)16-10/h2-7,16H,14H2,1H3
InChIKeyBWWOXDMQXLXPME-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.28
Rot. Bonds2

About 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 15988640) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID15988640
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3nc(N)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C13H12N4O2/c1-19-9-4-2-8(3-5-9)10-6-12-15-11(14)7-13(18)17(12)16-10/h2-7,16H,14H2,1H3
InChIKeyBWWOXDMQXLXPME-UHFFFAOYSA-N
XLogP1.28
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CID 815408
5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
7-oxo-6-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454642
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
Ethyl [7-hydroxy-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 1084421
6-chloro-2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1370213
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3156107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 15988640) is 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc3nc(N)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BWWOXDMQXLXPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-19-9-4-2-8(3-5-9)10-6-12-15-11(14)7-13(18)17(12)16-10/h2-7,16H,14H2,1H3.
What are the key properties of 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 256.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15988640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).