2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole

C64H64BrN21O5 — CID 158895750

IUPAC2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole
SMILESCC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-n3cccn3)ccc12.Nc1nc2cc(-n3cccn3)ccc2c2cn(CCNC(=O)c3ccccc3)nc12.O=C(O)c1ccccc1.c1cn[nH]c1
InChIInChI=1S/C22H19N7O.C17H20BrN5O2.C15H15N7.C7H6O2.C3H4N2/c23-21-20-18(17-8-7-16(13-19(17)26-21)29-11-4-9-25-29)14-28(27-20)12-10-24-22(30)15-5-2-1-3-6-15;1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23;16-4-7-21-9-12-11-3-2-10(22-6-1-5-18-22)8-13(11)19-15(17)14(12)20-21;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-9,11,13-14H,10,12H2,(H2,23,26)(H,24,30);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);1-3,5-6,8-9H,4,7,16H2,(H2,17,19);1-5H,(H,8,9);1-3H,(H,4,5)
InChIKeyJEUQYYJYFHDDTE-UHFFFAOYSA-N
MW1287.26 g/mol
LogP9.34
Rot. Bonds12

About 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole

2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole (PubChem CID 158895750) has the molecular formula C64H64BrN21O5 and a molecular weight of 1287.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole
PubChem CID158895750
Molecular FormulaC64H64BrN21O5
Molecular Weight1287.26 g/mol
Exact Mass1285.46
IUPAC Name2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole
SMILESCC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-n3cccn3)ccc12.Nc1nc2cc(-n3cccn3)ccc2c2cn(CCNC(=O)c3ccccc3)nc12.O=C(O)c1ccccc1.c1cn[nH]c1
InChIInChI=1S/C22H19N7O.C17H20BrN5O2.C15H15N7.C7H6O2.C3H4N2/c23-21-20-18(17-8-7-16(13-19(17)26-21)29-11-4-9-25-29)14-28(27-20)12-10-24-22(30)15-5-2-1-3-6-15;1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23;16-4-7-21-9-12-11-3-2-10(22-6-1-5-18-22)8-13(11)19-15(17)14(12)20-21;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-9,11,13-14H,10,12H2,(H2,23,26)(H,24,30);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);1-3,5-6,8-9H,4,7,16H2,(H2,17,19);1-5H,(H,8,9);1-3H,(H,4,5)
InChIKeyJEUQYYJYFHDDTE-UHFFFAOYSA-N
XLogP9.34
TPSA365.26 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001287.26
LogP ≤ 59.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole with MolForge

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Related Compounds

6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine
CID 157971371
2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
CID 158845992
6-bromo-1H-indole-2-carboxylic acid;6-bromo-N-pyridazin-4-yl-1H-indole-2-carboxamide;tert-butyl 4-(4-aminophenyl)pyrazole-1-carboxylate;methane;6-[4-(1H-pyrazol-4-yl)anilino]-N-pyridazin-4-yl-1H-indole-2-carboxamide;pyridazin-4-amine
CID 159468993
N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 159557925
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-N-methylbenzamide;benzoic acid;2-[2-(methylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 159591118
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;2-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3H-isoindol-1-one;methyl 2-(bromomethyl)benzoate
CID 160092338
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
CID 161604519
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole
CID 162012448
aniline;4-bromobenzoic acid;12-(4-bromobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole
CID 164089443

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole?
The IUPAC name of 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole (CID 158895750) is 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole.
What is the SMILES notation for 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole?
The canonical SMILES for 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole is CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-n3cccn3)ccc12.Nc1nc2cc(-n3cccn3)ccc2c2cn(CCNC(=O)c3ccccc3)nc12.O=C(O)c1ccccc1.c1cn[nH]c1.
What is the InChIKey of 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole?
The InChIKey is JEUQYYJYFHDDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O.C17H20BrN5O2.C15H15N7.C7H6O2.C3H4N2/c23-21-20-18(17-8-7-16(13-19(17)26-21)29-11-4-9-25-29)14-28(27-20)12-10-24-22(30)15-5-2-1-3-6-15;1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23;16-4-7-21-9-12-11-3-2-10(22-6-1-5-18-22)8-13(11)19-15(17)14(12)20-21;8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-9,11,13-14H,10,12H2,(H2,23,26)(H,24,30);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);1-3,5-6,8-9H,4,7,16H2,(H2,17,19);1-5H,(H,8,9);1-3H,(H,4,5).
What are the key properties of 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole?
2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole has a molecular weight of 1287.26 g/mol, XLogP of 9.34, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;N-[2-(4-amino-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-2-yl)ethyl]benzamide;benzoic acid;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;1H-pyrazole is sourced from PubChem (CID 158895750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).