5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide

C17H19N5O — CID 71737847

IUPAC5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc3ccccc3n2)c(C(N)=O)c1N
InChIInChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23)
InChIKeyYKVANMRHVMVLJX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds2

About 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide

5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 71737847) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID71737847
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc3ccccc3n2)c(C(N)=O)c1N
InChIInChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23)
InChIKeyYKVANMRHVMVLJX-UHFFFAOYSA-N
XLogP2.53
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
5-Amino-1-tert-butyl-3-quinolin-3-ylpyrazole-4-carboxamide
CID 73670975
5-Amino-1-tert-butyl-3-quinolin-6-ylpyrazole-4-carboxamide
CID 76313927
5-Amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide
CID 86342082
5-Amino-1-tert-butyl-3-(7-chloroquinolin-3-yl)pyrazole-4-carboxamide
CID 86342109
5-Amino-1-tert-butyl-3-[7-(trifluoromethyl)quinolin-3-yl]pyrazole-4-carboxamide
CID 86342110
5-Amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
CID 86342111
5-Amino-1-tert-butyl-3-(7-ethylquinolin-3-yl)pyrazole-4-carboxamide
CID 86342112
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 137375547
1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375586
5-methyl-1-(2-methylphenyl)-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375587

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide (CID 71737847) is 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide is CC(C)(C)n1nc(-c2ccc3ccccc3n2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is YKVANMRHVMVLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23).
What are the key properties of 5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 2 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-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 71737847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).