6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H14N4 — CID 170568244

IUPAC6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1
InChIInChI=1S/C19H14N4/c1-2-13-7-8-14-5-3-4-6-17(14)18(13)16-10-21-19-15(9-20)11-22-23(19)12-16/h3-8,10-12H,2H2,1H3
InChIKeyUPWJPZRZEUDCTG-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.98
Rot. Bonds2

About 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 170568244) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID170568244
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1
InChIInChI=1S/C19H14N4/c1-2-13-7-8-14-5-3-4-6-17(14)18(13)16-10-21-19-15(9-20)11-22-23(19)12-16/h3-8,10-12H,2H2,1H3
InChIKeyUPWJPZRZEUDCTG-UHFFFAOYSA-N
XLogP3.98
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 170568244) is 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UPWJPZRZEUDCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-2-13-7-8-14-5-3-4-6-17(14)18(13)16-10-21-19-15(9-20)11-22-23(19)12-16/h3-8,10-12H,2H2,1H3.
What are the key properties of 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 170568244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).