6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H14N4O3 — CID 82271704

IUPAC6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(OC)cc(-c2cc3ncc(N)c(=O)n3[nH]2)c1
InChIInChI=1S/C14H14N4O3/c1-20-9-3-8(4-10(5-9)21-2)12-6-13-16-7-11(15)14(19)18(13)17-12/h3-7,17H,15H2,1-2H3
InChIKeyZBFONNYXWDUKNX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.29
Rot. Bonds3

About 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271704) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271704
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(OC)cc(-c2cc3ncc(N)c(=O)n3[nH]2)c1
InChIInChI=1S/C14H14N4O3/c1-20-9-3-8(4-10(5-9)21-2)12-6-13-16-7-11(15)14(19)18(13)17-12/h3-7,17H,15H2,1-2H3
InChIKeyZBFONNYXWDUKNX-UHFFFAOYSA-N
XLogP1.29
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271709
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271004
ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 784776
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane
CID 142381159
2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146424002
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1084420
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666274
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
11-(2,2-dimethylpropanoyl)-5-(4-methoxyphenyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184136

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271704) is 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cc(OC)cc(-c2cc3ncc(N)c(=O)n3[nH]2)c1.
What is the InChIKey of 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZBFONNYXWDUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-9-3-8(4-10(5-9)21-2)12-6-13-16-7-11(15)14(19)18(13)17-12/h3-7,17H,15H2,1-2H3.
What are the key properties of 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 286.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).