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

C22H27N5O2 — CID 86342043

IUPAC5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
InChIKeyCMVANALWKBATOM-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.07
Rot. Bonds5

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

5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342043) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342043
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
InChIKeyCMVANALWKBATOM-UHFFFAOYSA-N
XLogP4.07
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86342043) is 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is CMVANALWKBATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-29-17-10-9-14-11-15(13-25-18(14)12-17)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28).
What are the key properties of 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).