5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H12N4 — CID 1481859

IUPAC5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2ccc(-c3ccc4c(c3)CCC4)nc12
InChIInChI=1S/C16H12N4/c17-9-14-10-18-20-7-6-15(19-16(14)20)13-5-4-11-2-1-3-12(11)8-13/h4-8,10H,1-3H2
InChIKeyYUGWTKZHZCJKKC-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.76
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1481859) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1481859
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2ccc(-c3ccc4c(c3)CCC4)nc12
InChIInChI=1S/C16H12N4/c17-9-14-10-18-20-7-6-15(19-16(14)20)13-5-4-11-2-1-3-12(11)8-13/h4-8,10H,1-3H2
InChIKeyYUGWTKZHZCJKKC-UHFFFAOYSA-N
XLogP2.76
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1481859) is 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2ccc(-c3ccc4c(c3)CCC4)nc12.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YUGWTKZHZCJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-9-14-10-18-20-7-6-15(19-16(14)20)13-5-4-11-2-1-3-12(11)8-13/h4-8,10H,1-3H2.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).