5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide

C18H21N5O2 — CID 86342141

IUPAC5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
InChIKeyIYNLAGHSNARNHP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.76
Rot. Bonds5

About 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 86342141) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID86342141
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
InChIKeyIYNLAGHSNARNHP-UHFFFAOYSA-N
XLogP2.76
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide (CID 86342141) is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IYNLAGHSNARNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-25-13-6-5-11-7-12(9-21-14(11)8-13)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24).
What are the key properties of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 86342141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).