7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

C14H10N6 — CID 3603328

IUPAC7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESN#CC1=C(N)n2ncc(C#N)c2NC1c1ccccc1
InChIInChI=1S/C14H10N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8,12,19H,17H2
InChIKeyDAWZOECERNMKIK-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.57
Rot. Bonds1

About 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (PubChem CID 3603328) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.

Molecular Properties

Compound Name7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
PubChem CID3603328
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESN#CC1=C(N)n2ncc(C#N)c2NC1c1ccccc1
InChIInChI=1S/C14H10N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8,12,19H,17H2
InChIKeyDAWZOECERNMKIK-UHFFFAOYSA-N
XLogP1.57
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The IUPAC name of 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (CID 3603328) is 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.
What is the SMILES notation for 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The canonical SMILES for 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is N#CC1=C(N)n2ncc(C#N)c2NC1c1ccccc1.
What is the InChIKey of 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The InChIKey is DAWZOECERNMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8,12,19H,17H2.
What are the key properties of 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile has a molecular weight of 262.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-phenyl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is sourced from PubChem (CID 3603328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).