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

C20H25N5O2 — CID 86341929

IUPAC5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)
InChIKeyLMHOKWLCLYLTHX-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.32
Rot. Bonds5

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

5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86341929) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86341929
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26)
InChIKeyLMHOKWLCLYLTHX-UHFFFAOYSA-N
XLogP3.32
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.32
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-propoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86341929) is 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide is CCCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is LMHOKWLCLYLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-5-8-27-14-7-6-12-9-13(11-23-15(12)10-14)17-16(19(22)26)18(21)25(24-17)20(2,3)4/h6-7,9-11H,5,8,21H2,1-4H3,(H2,22,26).
What are the key properties of 5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.32, 5 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-propoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86341929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).