5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide

C20H25N5O3 — CID 162648616

IUPAC5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)(C)CCO)c(N)c3C(N)=O)ccc2n1
InChIInChI=1S/C20H25N5O3/c1-4-28-15-8-6-12-11-13(5-7-14(12)23-15)17-16(19(22)27)18(21)25(24-17)20(2,3)9-10-26/h5-8,11,26H,4,9-10,21H2,1-3H3,(H2,22,27)
InChIKeyNXJKCPWQVKHHLF-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.30
Rot. Bonds7

About 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide

5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide (PubChem CID 162648616) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide
PubChem CID162648616
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)(C)CCO)c(N)c3C(N)=O)ccc2n1
InChIInChI=1S/C20H25N5O3/c1-4-28-15-8-6-12-11-13(5-7-14(12)23-15)17-16(19(22)27)18(21)25(24-17)20(2,3)9-10-26/h5-8,11,26H,4,9-10,21H2,1-3H3,(H2,22,27)
InChIKeyNXJKCPWQVKHHLF-UHFFFAOYSA-N
XLogP2.30
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide (CID 162648616) is 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C(C)(C)CCO)c(N)c3C(N)=O)ccc2n1.
What is the InChIKey of 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide?
The InChIKey is NXJKCPWQVKHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-28-15-8-6-12-11-13(5-7-14(12)23-15)17-16(19(22)27)18(21)25(24-17)20(2,3)9-10-26/h5-8,11,26H,4,9-10,21H2,1-3H3,(H2,22,27).
What are the key properties of 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide?
5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162648616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).