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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-1-Tert-Butyl-3-(7-Ethoxyquinolin-3-Yl)-1h-Pyrazole-4-Carboxamide
CID 73254853
5-Amino-1-Tert-Butyl-3-[2-(Cyclobutyloxy)quinolin-6-Yl]-1h-Pyrazole-4-Carboxamide
CID 86341928
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
9-[3-(dimethylamino)propoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971394
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-(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

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).