5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide

C21H25N5O3 — CID 162656008

IUPAC5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CO)Cn1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C21H25N5O3/c1-21(2,11-27)10-26-19(22)17(20(23)28)18(25-26)13-7-12-3-4-15(29-14-5-6-14)8-16(12)24-9-13/h3-4,7-9,14,27H,5-6,10-11,22H2,1-2H3,(H2,23,28)
InChIKeyARBCCEGUPRPKBE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.34
Rot. Bonds7

About 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide

5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide (PubChem CID 162656008) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide
PubChem CID162656008
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CO)Cn1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C21H25N5O3/c1-21(2,11-27)10-26-19(22)17(20(23)28)18(25-26)13-7-12-3-4-15(29-14-5-6-14)8-16(12)24-9-13/h3-4,7-9,14,27H,5-6,10-11,22H2,1-2H3,(H2,23,28)
InChIKeyARBCCEGUPRPKBE-UHFFFAOYSA-N
XLogP2.34
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
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
5-Amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342044

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide (CID 162656008) is 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide is CC(C)(CO)Cn1nc(-c2cnc3cc(OC4CC4)ccc3c2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide?
The InChIKey is ARBCCEGUPRPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-21(2,11-27)10-26-19(22)17(20(23)28)18(25-26)13-7-12-3-4-15(29-14-5-6-14)8-16(12)24-9-13/h3-4,7-9,14,27H,5-6,10-11,22H2,1-2H3,(H2,23,28).
What are the key properties of 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide?
5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(7-cyclopropyloxyquinolin-3-yl)-1-(3-hydroxy-2,2-dimethylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162656008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).