2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide

C21H22N6O — CID 19512593

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NCCCn3cccn3)c3ccccc3n2)cnn1C
InChIInChI=1S/C21H22N6O/c1-15-18(14-24-26(15)2)20-13-17(16-7-3-4-8-19(16)25-20)21(28)22-9-5-11-27-12-6-10-23-27/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,22,28)
InChIKeyYVFJDZDXEHMSAH-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.96
Rot. Bonds6

About 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 19512593) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID19512593
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NCCCn3cccn3)c3ccccc3n2)cnn1C
InChIInChI=1S/C21H22N6O/c1-15-18(14-24-26(15)2)20-13-17(16-7-3-4-8-19(16)25-20)21(28)22-9-5-11-27-12-6-10-23-27/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,22,28)
InChIKeyYVFJDZDXEHMSAH-UHFFFAOYSA-N
XLogP2.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512474
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512202
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19512590
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19515716
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511922
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511608

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide (CID 19512593) is 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NCCCn3cccn3)c3ccccc3n2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is YVFJDZDXEHMSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-18(14-24-26(15)2)20-13-17(16-7-3-4-8-19(16)25-20)21(28)22-9-5-11-27-12-6-10-23-27/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,22,28).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 19512593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).