7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole

C125H118Br8ClN29O11 — CID 161483264

IUPAC7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2n1.COc1ccc(CNc2nc3cc(Br)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.COc1ccc(Cn2cc3c(=O)[nH]c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2cc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.Cc1ccnn1C1CCCCO1.Nc1nc2cc(Br)ccc2c2[nH]ncc12.Nc1nc2cc(Br)ccc2c2[nH]ncc12.O=c1[nH]c2cc(Br)ccc2c2[nH]ncc12
InChIInChI=1S/C26H23BrN4O2.C18H13BrClN3O.C18H14BrN3O2.C17H20BrN5O2.2C10H7BrN4.C10H6BrN3O.C9H14N2O.C7H14BrNO2/c1-32-20-8-3-17(4-9-20)14-28-26-23-16-31(15-18-5-10-21(33-2)11-6-18)30-25(23)22-12-7-19(27)13-24(22)29-26;1-24-13-5-2-11(3-6-13)9-23-10-15-17(22-23)14-7-4-12(19)8-16(14)21-18(15)20;1-24-13-5-2-11(3-6-13)9-22-10-15-17(21-22)14-7-4-12(19)8-16(14)20-18(15)23;1-17(2,3)25-16(24)20-6-7-23-9-12-14(22-23)11-5-4-10(18)8-13(11)21-15(12)19;2*11-5-1-2-6-8(3-5)14-10(12)7-4-13-15-9(6)7;11-5-1-2-6-8(3-5)13-10(15)7-4-12-14-9(6)7;1-8-5-6-10-11(8)9-4-2-3-7-12-9;1-7(2,3)11-6(10)9-5-4-8/h3-13,16H,14-15H2,1-2H3,(H,28,29);2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);2*1-4H,(H2,12,14)(H,13,15);1-4H,(H,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-5H2,1-3H3,(H,9,10)
InChIKeyWEQIVAMSRRJPAK-UHFFFAOYSA-N
MW2877.20 g/mol
LogP29.11
Rot. Bonds19

About 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole

7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 161483264) has the molecular formula C125H118Br8ClN29O11 and a molecular weight of 2877.20 g/mol. Its IUPAC name is 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
PubChem CID161483264
Molecular FormulaC125H118Br8ClN29O11
Molecular Weight2877.20 g/mol
Exact Mass2867.27
IUPAC Name7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2n1.COc1ccc(CNc2nc3cc(Br)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.COc1ccc(Cn2cc3c(=O)[nH]c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2cc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.Cc1ccnn1C1CCCCO1.Nc1nc2cc(Br)ccc2c2[nH]ncc12.Nc1nc2cc(Br)ccc2c2[nH]ncc12.O=c1[nH]c2cc(Br)ccc2c2[nH]ncc12
InChIInChI=1S/C26H23BrN4O2.C18H13BrClN3O.C18H14BrN3O2.C17H20BrN5O2.2C10H7BrN4.C10H6BrN3O.C9H14N2O.C7H14BrNO2/c1-32-20-8-3-17(4-9-20)14-28-26-23-16-31(15-18-5-10-21(33-2)11-6-18)30-25(23)22-12-7-19(27)13-24(22)29-26;1-24-13-5-2-11(3-6-13)9-23-10-15-17(22-23)14-7-4-12(19)8-16(14)21-18(15)20;1-24-13-5-2-11(3-6-13)9-22-10-15-17(21-22)14-7-4-12(19)8-16(14)20-18(15)23;1-17(2,3)25-16(24)20-6-7-23-9-12-14(22-23)11-5-4-10(18)8-13(11)21-15(12)19;2*11-5-1-2-6-8(3-5)14-10(12)7-4-13-15-9(6)7;11-5-1-2-6-8(3-5)13-10(15)7-4-12-14-9(6)7;1-8-5-6-10-11(8)9-4-2-3-7-12-9;1-7(2,3)11-6(10)9-5-4-8/h3-13,16H,14-15H2,1-2H3,(H,28,29);2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);2*1-4H,(H2,12,14)(H,13,15);1-4H,(H,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-5H2,1-3H3,(H,9,10)
InChIKeyWEQIVAMSRRJPAK-UHFFFAOYSA-N
XLogP29.11
TPSA518.21 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002877.20
LogP ≤ 529.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole (CID 161483264) is 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole is CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2n1.COc1ccc(CNc2nc3cc(Br)ccc3c3nn(Cc4ccc(OC)cc4)cc23)cc1.COc1ccc(Cn2cc3c(=O)[nH]c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2cc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.Cc1ccnn1C1CCCCO1.Nc1nc2cc(Br)ccc2c2[nH]ncc12.Nc1nc2cc(Br)ccc2c2[nH]ncc12.O=c1[nH]c2cc(Br)ccc2c2[nH]ncc12.
What is the InChIKey of 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is WEQIVAMSRRJPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN4O2.C18H13BrClN3O.C18H14BrN3O2.C17H20BrN5O2.2C10H7BrN4.C10H6BrN3O.C9H14N2O.C7H14BrNO2/c1-32-20-8-3-17(4-9-20)14-28-26-23-16-31(15-18-5-10-21(33-2)11-6-18)30-25(23)22-12-7-19(27)13-24(22)29-26;1-24-13-5-2-11(3-6-13)9-23-10-15-17(22-23)14-7-4-12(19)8-16(14)21-18(15)20;1-24-13-5-2-11(3-6-13)9-22-10-15-17(21-22)14-7-4-12(19)8-16(14)20-18(15)23;1-17(2,3)25-16(24)20-6-7-23-9-12-14(22-23)11-5-4-10(18)8-13(11)21-15(12)19;2*11-5-1-2-6-8(3-5)14-10(12)7-4-13-15-9(6)7;11-5-1-2-6-8(3-5)13-10(15)7-4-12-14-9(6)7;1-8-5-6-10-11(8)9-4-2-3-7-12-9;1-7(2,3)11-6(10)9-5-4-8/h3-13,16H,14-15H2,1-2H3,(H,28,29);2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);2*1-4H,(H2,12,14)(H,13,15);1-4H,(H,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-5H2,1-3H3,(H,9,10).
What are the key properties of 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 2877.20 g/mol, XLogP of 29.11, 19 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 161483264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).