7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C14H11N5 — CID 1163266

IUPAC7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1ccc(-c2cc3ncc(C#N)c(N)n3n2)cc1
InChIInChI=1S/C14H11N5/c1-9-2-4-10(5-3-9)12-6-13-17-8-11(7-15)14(16)19(13)18-12/h2-6,8H,16H2,1H3
InChIKeyXTPCOUNRXMKACF-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.16
Rot. Bonds1

About 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 1163266) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID1163266
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1ccc(-c2cc3ncc(C#N)c(N)n3n2)cc1
InChIInChI=1S/C14H11N5/c1-9-2-4-10(5-3-9)12-6-13-17-8-11(7-15)14(16)19(13)18-12/h2-6,8H,16H2,1H3
InChIKeyXTPCOUNRXMKACF-UHFFFAOYSA-N
XLogP2.16
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 1163266) is 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1ccc(-c2cc3ncc(C#N)c(N)n3n2)cc1.
What is the InChIKey of 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XTPCOUNRXMKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-2-4-10(5-3-9)12-6-13-17-8-11(7-15)14(16)19(13)18-12/h2-6,8H,16H2,1H3.
What are the key properties of 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 1163266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).