5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile

C26H20N6O — CID 1235325

IUPAC5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2cc(Oc3cccc4ccccc34)nc(-c3ccccc3)n2)c(N)c1C#N
InChIInChI=1S/C26H20N6O/c1-2-21-20(16-27)25(28)32(31-21)23-15-24(30-26(29-23)18-10-4-3-5-11-18)33-22-14-8-12-17-9-6-7-13-19(17)22/h3-15H,2,28H2,1H3
InChIKeyDVXKYIJIPVPGEV-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.29
Rot. Bonds5

About 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile

5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 1235325) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID1235325
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2cc(Oc3cccc4ccccc34)nc(-c3ccccc3)n2)c(N)c1C#N
InChIInChI=1S/C26H20N6O/c1-2-21-20(16-27)25(28)32(31-21)23-15-24(30-26(29-23)18-10-4-3-5-11-18)33-22-14-8-12-17-9-6-7-13-19(17)22/h3-15H,2,28H2,1H3
InChIKeyDVXKYIJIPVPGEV-UHFFFAOYSA-N
XLogP5.29
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-Ethylphenyl)-3-methyl-1-phenyl-4-[2-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207581
6-(4-Ethylphenyl)-4-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207588
4,6-dimethyl-N-{5-[(naphthalen-1-yloxy)methyl]-1H-1,2,4-triazol-3-yl}pyrimidin-2-amine
CID 2037630
4-(2-Hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
5-amino-3-ethyl-1-(6-phenoxy-2-phenyl-4-pyrimidinyl)-1H-pyrazole-4-carbonitrile
CID 985501
US11839613, Example 156
CID 151371410
5-Amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile
CID 850458
5-Amino-3-ethyl-1-[2-methyl-6-(3-methylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile
CID 1818841
3-(2-Methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3403740
5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline
CID 8852840
5-amino-1-[6-(2,5-dimethylphenoxy)-4-pyrimidinyl]-3-ethyl-1H-pyrazole-4-carbonitrile
CID 11841788
5-amino-1-[6-(2,5-dimethylphenoxy)-2-methyl-4-pyrimidinyl]-3-methyl-1H-pyrazole-4-carbonitrile
CID 16044582

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile (CID 1235325) is 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile is CCc1nn(-c2cc(Oc3cccc4ccccc34)nc(-c3ccccc3)n2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is DVXKYIJIPVPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-2-21-20(16-27)25(28)32(31-21)23-15-24(30-26(29-23)18-10-4-3-5-11-18)33-22-14-8-12-17-9-6-7-13-19(17)22/h3-15H,2,28H2,1H3.
What are the key properties of 5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-3-ethyl-1-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 432.49 g/mol, XLogP of 5.29, 5 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-(6-naphthalen-1-yloxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 1235325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).