5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide

C19H23N5O2 — CID 73254853

IUPAC5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
InChIKeyXZLFLNWUBLMFQW-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.93
Rot. Bonds4

About 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 73254853) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID73254853
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
InChIKeyXZLFLNWUBLMFQW-UHFFFAOYSA-N
XLogP2.93
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 73254853) is 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is XZLFLNWUBLMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25).
What are the key properties of 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 73254853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).