1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide

C25H27N5O2 — CID 10025657

IUPAC1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide
SMILESCN(C)CCCOc1cc(C(=O)Nc2cnc3ccccc3c2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H27N5O2/c1-29(2)13-8-14-32-24-16-23(30(28-24)18-19-9-4-3-5-10-19)25(31)27-21-15-20-11-6-7-12-22(20)26-17-21/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H,27,31)
InChIKeyCVAMPYJTJBBDBK-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.06
Rot. Bonds9

About 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide

1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide (PubChem CID 10025657) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide
PubChem CID10025657
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide
SMILESCN(C)CCCOc1cc(C(=O)Nc2cnc3ccccc3c2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H27N5O2/c1-29(2)13-8-14-32-24-16-23(30(28-24)18-19-9-4-3-5-10-19)25(31)27-21-15-20-11-6-7-12-22(20)26-17-21/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H,27,31)
InChIKeyCVAMPYJTJBBDBK-UHFFFAOYSA-N
XLogP4.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.06
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-Ethyl-3-methyl-1H-pyrazol-4-YL)-N~4~-(4-methoxy-2-methylphenyl)-4-quinolinecarboxamide
CID 19582704
N-(2-aminophenyl)-4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinoline-7-carboxamide
CID 145971645
N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 72944198
4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)quinoline-7-carboxamide
CID 122431848
N-(5-cyano-6-ethoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609930
N-(4-phenoxyphenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431905
1-benzyl-3-[3-(dimethylamino)propoxy]-N-isoquinolin-1-ylpyrazole-5-carboxamide
CID 10320444
1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-2-ylpyrazole-5-carboxamide
CID 44267731
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(1-phenylpyrazol-3-yl)pyrazole-5-carboxamide
CID 44267739
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 44267842
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(2-fluorophenyl)pyrazole-5-carboxamide
CID 44267847
US10889564, Example 38
CID 129104739

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide (CID 10025657) is 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide is CN(C)CCCOc1cc(C(=O)Nc2cnc3ccccc3c2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide?
The InChIKey is CVAMPYJTJBBDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-29(2)13-8-14-32-24-16-23(30(28-24)18-19-9-4-3-5-10-19)25(31)27-21-15-20-11-6-7-12-22(20)26-17-21/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide?
1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(dimethylamino)propoxy]-N-quinolin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 10025657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).