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

C19H21N5O2 — CID 121246673

IUPAC5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
InChIKeyATIDQUUZAPHKND-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds5

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

5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 121246673) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID121246673
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25)
InChIKeyATIDQUUZAPHKND-UHFFFAOYSA-N
XLogP2.90
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 121246673) is 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C4CCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is ATIDQUUZAPHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-14-7-6-11-8-12(10-22-15(11)9-14)17-16(19(21)25)18(20)24(23-17)13-4-3-5-13/h6-10,13H,2-5,20H2,1H3,(H2,21,25).
What are the key properties of 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclobutyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 121246673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).