5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile

C17H16N6O — CID 850458

IUPAC5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C#N
InChIInChI=1S/C17H16N6O/c1-3-14-13(10-18)17(19)23(22-14)15-9-16(21-11(2)20-15)24-12-7-5-4-6-8-12/h4-9H,3,19H2,1-2H3
InChIKeyRGFUUGIELATIMK-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.78
Rot. Bonds4

About 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile

5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 850458) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID850458
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C#N
InChIInChI=1S/C17H16N6O/c1-3-14-13(10-18)17(19)23(22-14)15-9-16(21-11(2)20-15)24-12-7-5-4-6-8-12/h4-9H,3,19H2,1-2H3
InChIKeyRGFUUGIELATIMK-UHFFFAOYSA-N
XLogP2.78
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile (CID 850458) is 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile is CCc1nn(-c2cc(Oc3ccccc3)nc(C)n2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is RGFUUGIELATIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-3-14-13(10-18)17(19)23(22-14)15-9-16(21-11(2)20-15)24-12-7-5-4-6-8-12/h4-9H,3,19H2,1-2H3.
What are the key properties of 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 850458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).