5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H23N5O2 — CID 86342142

IUPAC5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
InChIKeyFDHLEBRUJJZXMR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.83
Rot. Bonds6

About 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 86342142) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID86342142
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25)
InChIKeyFDHLEBRUJJZXMR-UHFFFAOYSA-N
XLogP2.83
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 86342142) is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(CC(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is FDHLEBRUJJZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-26-14-6-5-12-7-13(9-22-15(12)8-14)17-16(19(21)25)18(20)24(23-17)10-11(2)3/h5-9,11H,4,10,20H2,1-3H3,(H2,21,25).
What are the key properties of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).