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

C19H23N5O3 — CID 86342045

IUPAC5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC(C)(C)O)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)
InChIKeyVUSWSOVTPRKZMU-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.95
Rot. Bonds6

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

5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 86342045) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
PubChem CID86342045
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC(C)(C)O)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)
InChIKeyVUSWSOVTPRKZMU-UHFFFAOYSA-N
XLogP1.95
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide (CID 86342045) is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(CC(C)(C)O)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is VUSWSOVTPRKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25).
What are the key properties of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide?
5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).