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

C19H23N5O — CID 86342112

IUPAC5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O/c1-5-11-6-7-12-9-13(10-22-14(12)8-11)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
InChIKeyQUPSOTTWHXSAPW-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.10
Rot. Bonds3

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

5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342112) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342112
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C19H23N5O/c1-5-11-6-7-12-9-13(10-22-14(12)8-11)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
InChIKeyQUPSOTTWHXSAPW-UHFFFAOYSA-N
XLogP3.10
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-tert-butyl-3-[7-(trifluoromethoxy)quinolin-3-yl]pyrazole-4-carboxamide
CID 86342114
5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide
CID 86342675
5-amino-3-(2-ethoxyquinolin-6-yl)-1-(4-hydroxy-2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 162648616
5-amino-1-tert-butyl-3-(4-hydroxyphenyl)pyrazole-4-carboxamide
CID 135788276
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 163292126
5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide
CID 121242392
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733
(7-ethylquinolin-3-yl)-(2-hydroxyphenyl)methanone
CID 139223032
5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
CID 162644876
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[3-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 164765622
1-tert-butyl-3-[4-(ethylsulfonylamino)phenyl]-5-(methylamino)pyrazole-4-carboxamide
CID 166905018
5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163514089

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide (CID 86342112) is 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide is CCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is QUPSOTTWHXSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-11-6-7-12-9-13(10-22-14(12)8-11)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25).
What are the key properties of 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).