5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile

C17H16N6 — CID 82192609

IUPAC5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2cc(C)nc(-n3ncc(C#N)c3N)n2)cc1
InChIInChI=1S/C17H16N6/c1-3-12-4-6-13(7-5-12)15-8-11(2)21-17(22-15)23-16(19)14(9-18)10-20-23/h4-8,10H,3,19H2,1-2H3
InChIKeyHHFPUROUIVIGDC-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile

5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile (PubChem CID 82192609) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile
PubChem CID82192609
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2cc(C)nc(-n3ncc(C#N)c3N)n2)cc1
InChIInChI=1S/C17H16N6/c1-3-12-4-6-13(7-5-12)15-8-11(2)21-17(22-15)23-16(19)14(9-18)10-20-23/h4-8,10H,3,19H2,1-2H3
InChIKeyHHFPUROUIVIGDC-UHFFFAOYSA-N
XLogP2.65
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 79822220
2-amino-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 62198217
2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
CID 116895284
[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
CID 82191781
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
5-amino-1-(2,3-dichloro-4-ethylphenyl)pyrazole-4-carbonitrile
CID 13127515
5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 82192593
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
CID 39347922
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile (CID 82192609) is 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile is CCc1ccc(-c2cc(C)nc(-n3ncc(C#N)c3N)n2)cc1.
What is the InChIKey of 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile?
The InChIKey is HHFPUROUIVIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-3-12-4-6-13(7-5-12)15-8-11(2)21-17(22-15)23-16(19)14(9-18)10-20-23/h4-8,10H,3,19H2,1-2H3.
What are the key properties of 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile?
5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 82192609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).