(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile

C16H15N5O — CID 7447065

IUPAC(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile
SMILESCc1cc(C)nc(N2N[C@H](c3ccccc3)C(C#N)=C2O)n1
InChIInChI=1S/C16H15N5O/c1-10-8-11(2)19-16(18-10)21-15(22)13(9-17)14(20-21)12-6-4-3-5-7-12/h3-8,14,20,22H,1-2H3/t14-/m1/s1
InChIKeyQFZYUSOJPCQAEU-CQSZACIVSA-N
MW293.33 g/mol
LogP2.45
Rot. Bonds2

About (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile

(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile (PubChem CID 7447065) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile.

Molecular Properties

Compound Name(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile
PubChem CID7447065
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile
SMILESCc1cc(C)nc(N2N[C@H](c3ccccc3)C(C#N)=C2O)n1
InChIInChI=1S/C16H15N5O/c1-10-8-11(2)19-16(18-10)21-15(22)13(9-17)14(20-21)12-6-4-3-5-7-12/h3-8,14,20,22H,1-2H3/t14-/m1/s1
InChIKeyQFZYUSOJPCQAEU-CQSZACIVSA-N
XLogP2.45
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222314
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-6-methylpyrimidine-4-carbonitrile
CID 136542274
7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222313
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
CID 114653466
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone
CID 124985315
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile?
The IUPAC name of (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile (CID 7447065) is (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile.
What is the SMILES notation for (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile?
The canonical SMILES for (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile is Cc1cc(C)nc(N2N[C@H](c3ccccc3)C(C#N)=C2O)n1.
What is the InChIKey of (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile?
The InChIKey is QFZYUSOJPCQAEU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-8-11(2)19-16(18-10)21-15(22)13(9-17)14(20-21)12-6-4-3-5-7-12/h3-8,14,20,22H,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile?
(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile is sourced from PubChem (CID 7447065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).