5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide

C21H25N5O2 — CID 86341928

IUPAC5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc3nc(OC4CCC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
InChIKeyBTTULLMSRICKGC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.47
Rot. Bonds4

About 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide (PubChem CID 86341928) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide
PubChem CID86341928
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc3nc(OC4CCC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
InChIKeyBTTULLMSRICKGC-UHFFFAOYSA-N
XLogP3.47
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-1-Tert-Butyl-3-(7-Ethoxyquinolin-3-Yl)-1h-Pyrazole-4-Carboxamide
CID 73254853
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 86342042
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 86342141
5-Amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide
CID 162656008
5-Amino-1-tert-butyl-3-(6-ethoxyquinolin-2-yl)pyrazole-4-carboxamide
CID 76317460
5-Amino-1-tert-butyl-3-(7-cyclopropyloxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86341927
5-Amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86341929
5-Amino-1-tert-butyl-3-(2-cyclopropyloxyquinolin-6-yl)pyrazole-4-carboxamide
CID 86341930
5-Amino-1-tert-butyl-3-(7-cyclobutyloxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86341931
5-Amino-1-tert-butyl-3-[7-(cyclopropylmethoxy)quinolin-3-yl]pyrazole-4-carboxamide
CID 86341934
5-Amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342041
5-Amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342043

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide (CID 86341928) is 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide is CC(C)(C)n1nc(-c2ccc3nc(OC4CCC4)ccc3c2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide?
The InChIKey is BTTULLMSRICKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27).
What are the key properties of 5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.47, 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-(2-cyclobutyloxyquinolin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86341928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).