5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide

C19H20N4O2 — CID 74242121

IUPAC5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3cc(C4CC4)[nH]n3)c2n1
InChIInChI=1S/C19H20N4O2/c1-12-5-6-14-3-2-4-17(18(14)21-12)25-10-9-20-19(24)16-11-15(22-23-16)13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyKDINRKGCFSTKAL-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.95
Rot. Bonds6

About 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide (PubChem CID 74242121) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
PubChem CID74242121
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3cc(C4CC4)[nH]n3)c2n1
InChIInChI=1S/C19H20N4O2/c1-12-5-6-14-3-2-4-17(18(14)21-12)25-10-9-20-19(24)16-11-15(22-23-16)13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyKDINRKGCFSTKAL-UHFFFAOYSA-N
XLogP2.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide (CID 74242121) is 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide is Cc1ccc2cccc(OCCNC(=O)c3cc(C4CC4)[nH]n3)c2n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KDINRKGCFSTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-5-6-14-3-2-4-17(18(14)21-12)25-10-9-20-19(24)16-11-15(22-23-16)13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74242121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).