5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid

C18H28N8O5S — CID 159439118

IUPAC5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
SMILESN#Cc1cnn(C2CCCC2)c1N.NC(=O)c1cnn(C2CCCC2)c1N.O=S(=O)(O)O
InChIInChI=1S/C9H14N4O.C9H12N4.H2O4S/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6;10-5-7-6-12-13(9(7)11)8-3-1-2-4-8;1-5(2,3)4/h5-6H,1-4,10H2,(H2,11,14);6,8H,1-4,11H2;(H2,1,2,3,4)
InChIKeyBFFHOCQZELZOKD-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.48
Rot. Bonds3

About 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid

5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid (PubChem CID 159439118) has the molecular formula C18H28N8O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid.

Molecular Properties

Compound Name5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
PubChem CID159439118
Molecular FormulaC18H28N8O5S
Molecular Weight468.54 g/mol
Exact Mass468.19
IUPAC Name5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
SMILESN#Cc1cnn(C2CCCC2)c1N.NC(=O)c1cnn(C2CCCC2)c1N.O=S(=O)(O)O
InChIInChI=1S/C9H14N4O.C9H12N4.H2O4S/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6;10-5-7-6-12-13(9(7)11)8-3-1-2-4-8;1-5(2,3)4/h5-6H,1-4,10H2,(H2,11,14);6,8H,1-4,11H2;(H2,1,2,3,4)
InChIKeyBFFHOCQZELZOKD-UHFFFAOYSA-N
XLogP1.48
TPSA229.16 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?
The IUPAC name of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid (CID 159439118) is 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid.
What is the SMILES notation for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?
The canonical SMILES for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid is N#Cc1cnn(C2CCCC2)c1N.NC(=O)c1cnn(C2CCCC2)c1N.O=S(=O)(O)O.
What is the InChIKey of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?
The InChIKey is BFFHOCQZELZOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.C9H12N4.H2O4S/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6;10-5-7-6-12-13(9(7)11)8-3-1-2-4-8;1-5(2,3)4/h5-6H,1-4,10H2,(H2,11,14);6,8H,1-4,11H2;(H2,1,2,3,4).
What are the key properties of 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid?
5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid has a molecular weight of 468.54 g/mol, XLogP of 1.48, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid is sourced from PubChem (CID 159439118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).