5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H14N4O2 — CID 82271004

IUPAC5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(CN)cc(=O)n3[nH]2)c1
InChIInChI=1S/C14H14N4O2/c1-20-11-4-2-3-9(5-11)12-7-13-16-10(8-15)6-14(19)18(13)17-12/h2-7,17H,8,15H2,1H3
InChIKeyVVOJJHIZHZSENW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.16
Rot. Bonds3

About 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271004) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271004
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(CN)cc(=O)n3[nH]2)c1
InChIInChI=1S/C14H14N4O2/c1-20-11-4-2-3-9(5-11)12-7-13-16-10(8-15)6-14(19)18(13)17-12/h2-7,17H,8,15H2,1H3
InChIKeyVVOJJHIZHZSENW-UHFFFAOYSA-N
XLogP1.16
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1084420
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270130
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
5-(methoxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761945
2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032
5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666274
5-[[(4-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382059
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92568407
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271004) is 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2cc3nc(CN)cc(=O)n3[nH]2)c1.
What is the InChIKey of 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VVOJJHIZHZSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-11-4-2-3-9(5-11)12-7-13-16-10(8-15)6-14(19)18(13)17-12/h2-7,17H,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 270.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).