7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C14H11N5 — CID 619301

IUPAC7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-9-12(10-5-3-2-4-6-10)14-17-8-11(7-15)13(16)19(14)18-9/h2-6,8H,16H2,1H3
InChIKeyXAFYBKNNHLDYKS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.16
Rot. Bonds1

About 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 619301) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID619301
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-9-12(10-5-3-2-4-6-10)14-17-8-11(7-15)13(16)19(14)18-9/h2-6,8H,16H2,1H3
InChIKeyXAFYBKNNHLDYKS-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-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 619301) is 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2c(N)c(C#N)cnc2c1-c1ccccc1.
What is the InChIKey of 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XAFYBKNNHLDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-12(10-5-3-2-4-6-10)14-17-8-11(7-15)13(16)19(14)18-9/h2-6,8H,16H2,1H3.
What are the key properties of 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-methyl-3-phenylpyrazolo[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-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 619301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).