1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

C15H15N5O — CID 83066352

IUPAC1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccnc3c(N)cccc23)n1
InChIInChI=1S/C15H15N5O/c1-19(2)15(21)12-7-9-20(18-12)13-6-8-17-14-10(13)4-3-5-11(14)16/h3-9H,16H2,1-2H3
InChIKeyGSKQLIZMNXFHAN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds2

About 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 83066352) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID83066352
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccnc3c(N)cccc23)n1
InChIInChI=1S/C15H15N5O/c1-19(2)15(21)12-7-9-20(18-12)13-6-8-17-14-10(13)4-3-5-11(14)16/h3-9H,16H2,1-2H3
InChIKeyGSKQLIZMNXFHAN-UHFFFAOYSA-N
XLogP1.70
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 83066352) is 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ccnc3c(N)cccc23)n1.
What is the InChIKey of 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is GSKQLIZMNXFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-19(2)15(21)12-7-9-20(18-12)13-6-8-17-14-10(13)4-3-5-11(14)16/h3-9H,16H2,1-2H3.
What are the key properties of 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 83066352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).