5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

C15H17N5 — CID 102795490

IUPAC5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C15H17N5/c16-10-13-14(17)20(11-12-6-2-1-3-7-12)18-15(13)19-8-4-5-9-19/h1-3,6-7H,4-5,8-9,11,17H2
InChIKeyJOTXXQPHZCWFEZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (PubChem CID 102795490) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
PubChem CID102795490
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C15H17N5/c16-10-13-14(17)20(11-12-6-2-1-3-7-12)18-15(13)19-8-4-5-9-19/h1-3,6-7H,4-5,8-9,11,17H2
InChIKeyJOTXXQPHZCWFEZ-UHFFFAOYSA-N
XLogP1.99
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (CID 102795490) is 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is N#Cc1c(N2CCCC2)nn(Cc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The InChIKey is JOTXXQPHZCWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-10-13-14(17)20(11-12-6-2-1-3-7-12)18-15(13)19-8-4-5-9-19/h1-3,6-7H,4-5,8-9,11,17H2.
What are the key properties of 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).