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

C21H25N5O2 — CID 86342041

IUPAC5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
InChIKeyYXEUOWLDWIHNLO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.68
Rot. Bonds5

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

5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342041) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342041
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27)
InChIKeyYXEUOWLDWIHNLO-UHFFFAOYSA-N
XLogP3.68
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86342041) is 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is YXEUOWLDWIHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-28-16-9-8-13-10-14(12-24-17(13)11-16)19-18(21(23)27)20(22)26(25-19)15-6-4-3-5-7-15/h8-12,15H,2-7,22H2,1H3,(H2,23,27).
What are the key properties of 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).