7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

C17H11N7O — CID 134126134

IUPAC7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCOc1ccc(-c2nc3c(C#N)c(CC#N)nn3c(N)c2C#N)cc1
InChIInChI=1S/C17H11N7O/c1-25-11-4-2-10(3-5-11)15-13(9-20)16(21)24-17(22-15)12(8-19)14(23-24)6-7-18/h2-5H,6,21H2,1H3
InChIKeyMLIPUVOSEWMWQR-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.80
Rot. Bonds3

About 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (PubChem CID 134126134) has the molecular formula C17H11N7O and a molecular weight of 329.32 g/mol. Its IUPAC name is 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.

Molecular Properties

Compound Name7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
PubChem CID134126134
Molecular FormulaC17H11N7O
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCOc1ccc(-c2nc3c(C#N)c(CC#N)nn3c(N)c2C#N)cc1
InChIInChI=1S/C17H11N7O/c1-25-11-4-2-10(3-5-11)15-13(9-20)16(21)24-17(22-15)12(8-19)14(23-24)6-7-18/h2-5H,6,21H2,1H3
InChIKeyMLIPUVOSEWMWQR-UHFFFAOYSA-N
XLogP1.80
TPSA136.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
CID 13472608
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
3-[4-(4-methoxyphenyl)pyrazol-1-yl]propanenitrile
CID 82115258
1-ethyl-4-isocyano-3-(4-methoxyphenyl)pyrazol-5-amine
CID 158935224
5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile
CID 137350391
5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
5,7-diamino-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carbonitrile
CID 11108726
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The IUPAC name of 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (CID 134126134) is 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.
What is the SMILES notation for 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The canonical SMILES for 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is COc1ccc(-c2nc3c(C#N)c(CC#N)nn3c(N)c2C#N)cc1.
What is the InChIKey of 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The InChIKey is MLIPUVOSEWMWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O/c1-25-11-4-2-10(3-5-11)15-13(9-20)16(21)24-17(22-15)12(8-19)14(23-24)6-7-18/h2-5H,6,21H2,1H3.
What are the key properties of 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile has a molecular weight of 329.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is sourced from PubChem (CID 134126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).