N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide

C13H11N5O — CID 104826398

IUPACN-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cn[nH]c2)c2cccnc12
InChIInChI=1S/C13H11N5O/c14-10-3-4-11(9-2-1-5-15-12(9)10)18-13(19)8-6-16-17-7-8/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyHBKXRSVPRLLVMF-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide

N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide (PubChem CID 104826398) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
PubChem CID104826398
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cn[nH]c2)c2cccnc12
InChIInChI=1S/C13H11N5O/c14-10-3-4-11(9-2-1-5-15-12(9)10)18-13(19)8-6-16-17-7-8/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyHBKXRSVPRLLVMF-UHFFFAOYSA-N
XLogP1.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(3-amino-4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63084907
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide (CID 104826398) is N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide is Nc1ccc(NC(=O)c2cn[nH]c2)c2cccnc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is HBKXRSVPRLLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-10-3-4-11(9-2-1-5-15-12(9)10)18-13(19)8-6-16-17-7-8/h1-7H,14H2,(H,16,17)(H,18,19).
What are the key properties of N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide?
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 104826398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).