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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Related Compounds

5-amino-1-[(3-methylphenyl)methyl]-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796480
5-amino-1-benzyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764115
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085
5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795651
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile
CID 21190636
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796158
5-amino-1-benzyl-3-(4-chloroanilino)pyrazole-4-carbonitrile;benzylhydrazine;dihydrochloride
CID 19610662

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).