2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide

C20H24N4O2 — CID 70706143

IUPAC2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide
SMILESCCOCCn1nc(C)cc1C(=O)N(C)Cc1cccc2ncccc12
InChIInChI=1S/C20H24N4O2/c1-4-26-12-11-24-19(13-15(2)22-24)20(25)23(3)14-16-7-5-9-18-17(16)8-6-10-21-18/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKRQFHMUGQTZISO-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.05
Rot. Bonds7

About 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide

2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide (PubChem CID 70706143) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide
PubChem CID70706143
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide
SMILESCCOCCn1nc(C)cc1C(=O)N(C)Cc1cccc2ncccc12
InChIInChI=1S/C20H24N4O2/c1-4-26-12-11-24-19(13-15(2)22-24)20(25)23(3)14-16-7-5-9-18-17(16)8-6-10-21-18/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKRQFHMUGQTZISO-UHFFFAOYSA-N
XLogP3.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide (CID 70706143) is 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide is CCOCCn1nc(C)cc1C(=O)N(C)Cc1cccc2ncccc12.
What is the InChIKey of 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KRQFHMUGQTZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-26-12-11-24-19(13-15(2)22-24)20(25)23(3)14-16-7-5-9-18-17(16)8-6-10-21-18/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide?
2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 70706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).