7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen

C15H15N5 — CID 158886833

IUPAC7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
SMILESCc1nc2ccnn2c(NCc2ccccc2)c1C#N.[H][H]
InChIInChI=1S/C15H13N5.H2/c1-11-13(9-16)15(20-14(19-11)7-8-18-20)17-10-12-5-3-2-4-6-12;/h2-8,17H,10H2,1H3;1H
InChIKeyJDSRSYQHVRNBSS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.77
Rot. Bonds3

About 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen

7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen (PubChem CID 158886833) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
PubChem CID158886833
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
SMILESCc1nc2ccnn2c(NCc2ccccc2)c1C#N.[H][H]
InChIInChI=1S/C15H13N5.H2/c1-11-13(9-16)15(20-14(19-11)7-8-18-20)17-10-12-5-3-2-4-6-12;/h2-8,17H,10H2,1H3;1H
InChIKeyJDSRSYQHVRNBSS-UHFFFAOYSA-N
XLogP2.77
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen?
The IUPAC name of 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen (CID 158886833) is 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen.
What is the SMILES notation for 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen?
The canonical SMILES for 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen is Cc1nc2ccnn2c(NCc2ccccc2)c1C#N.[H][H].
What is the InChIKey of 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen?
The InChIKey is JDSRSYQHVRNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5.H2/c1-11-13(9-16)15(20-14(19-11)7-8-18-20)17-10-12-5-3-2-4-6-12;/h2-8,17H,10H2,1H3;1H.
What are the key properties of 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen?
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen has a molecular weight of 265.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen is sourced from PubChem (CID 158886833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).