5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide

C18H21N5O2 — CID 86342113

IUPAC5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)
InChIKeyOICIQHXOTTYPMV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342113) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342113
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24)
InChIKeyOICIQHXOTTYPMV-UHFFFAOYSA-N
XLogP2.54
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86342113) is 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide is COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is OICIQHXOTTYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2,3)23-16(19)14(17(20)24)15(22-23)11-7-10-5-6-12(25-4)8-13(10)21-9-11/h5-9H,19H2,1-4H3,(H2,20,24).
What are the key properties of 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(7-methoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).