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

C20H23N5O2 — CID 86341927

IUPAC5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)
InChIKeyNPQIPWMDLIWSMO-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.08
Rot. Bonds4

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

5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86341927) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86341927
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26)
InChIKeyNPQIPWMDLIWSMO-UHFFFAOYSA-N
XLogP3.08
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.08
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-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86341927) is 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide is CC(C)(C)n1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is NPQIPWMDLIWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)25-18(21)16(19(22)26)17(24-25)12-8-11-4-5-14(27-13-6-7-13)9-15(11)23-10-12/h4-5,8-10,13H,6-7,21H2,1-3H3,(H2,22,26).
What are the key properties of 5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.08, 4 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-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86341927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).