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

C20H23N5O2 — CID 86343243

IUPAC5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)C4CC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O2/c1-3-27-15-7-6-13-8-14(10-23-16(13)9-15)18-17(20(22)26)19(21)25(24-18)11(2)12-4-5-12/h6-12H,3-5,21H2,1-2H3,(H2,22,26)
InChIKeyXOYALPHJTHBLCG-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.15
Rot. Bonds6

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

5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86343243) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86343243
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)C4CC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O2/c1-3-27-15-7-6-13-8-14(10-23-16(13)9-15)18-17(20(22)26)19(21)25(24-18)11(2)12-4-5-12/h6-12H,3-5,21H2,1-2H3,(H2,22,26)
InChIKeyXOYALPHJTHBLCG-UHFFFAOYSA-N
XLogP3.15
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86343243) is 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C(C)C4CC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is XOYALPHJTHBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-27-15-7-6-13-8-14(10-23-16(13)9-15)18-17(20(22)26)19(21)25(24-18)11(2)12-4-5-12/h6-12H,3-5,21H2,1-2H3,(H2,22,26).
What are the key properties of 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86343243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).