N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol

C97H77N25O6 — CID 158200259

IUPACN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol
SMILESCOC(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.O=C(O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.OCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17N5.C19H15N5O2.C19H17N5O.C18H13N5O2.C18H15N5O/c1-3-9-16(10-4-1)20-15-21(28-27-20)25-23-18-13-7-8-14-19(18)24-22(26-23)17-11-5-2-6-12-17;1-26-19(25)15-11-16(24-23-15)21-18-13-9-5-6-10-14(13)20-17(22-18)12-7-3-2-4-8-12;1-25-12-14-11-17(24-23-14)21-19-15-9-5-6-10-16(15)20-18(22-19)13-7-3-2-4-8-13;24-18(25)14-10-15(23-22-14)20-17-12-8-4-5-9-13(12)19-16(21-17)11-6-2-1-3-7-11;24-11-13-10-16(23-22-13)20-18-14-8-4-5-9-15(14)19-17(21-18)12-6-2-1-3-7-12/h1-15H,(H2,24,25,26,27,28);2-11H,1H3,(H2,20,21,22,23,24);2-11H,12H2,1H3,(H2,20,21,22,23,24);1-10H,(H,24,25)(H2,19,20,21,22,23);1-10,24H,11H2,(H2,19,20,21,22,23)
InChIKeyGAVNPTXDUUCIDW-UHFFFAOYSA-N
MW1688.85 g/mol
LogP19.61
Rot. Bonds21

About N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol

N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol (PubChem CID 158200259) has the molecular formula C97H77N25O6 and a molecular weight of 1688.85 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol
PubChem CID158200259
Molecular FormulaC97H77N25O6
Molecular Weight1688.85 g/mol
Exact Mass1687.65
IUPAC NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol
SMILESCOC(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.O=C(O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.OCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17N5.C19H15N5O2.C19H17N5O.C18H13N5O2.C18H15N5O/c1-3-9-16(10-4-1)20-15-21(28-27-20)25-23-18-13-7-8-14-19(18)24-22(26-23)17-11-5-2-6-12-17;1-26-19(25)15-11-16(24-23-15)21-18-13-9-5-6-10-14(13)20-17(22-18)12-7-3-2-4-8-12;1-25-12-14-11-17(24-23-14)21-19-15-9-5-6-10-16(15)20-18(22-19)13-7-3-2-4-8-13;24-18(25)14-10-15(23-22-14)20-17-12-8-4-5-9-13(12)19-16(21-17)11-6-2-1-3-7-11;24-11-13-10-16(23-22-13)20-18-14-8-4-5-9-15(14)19-17(21-18)12-6-2-1-3-7-12/h1-15H,(H2,24,25,26,27,28);2-11H,1H3,(H2,20,21,22,23,24);2-11H,12H2,1H3,(H2,20,21,22,23,24);1-10H,(H,24,25)(H2,19,20,21,22,23);1-10,24H,11H2,(H2,19,20,21,22,23)
InChIKeyGAVNPTXDUUCIDW-UHFFFAOYSA-N
XLogP19.61
TPSA425.51 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.85
LogP ≤ 519.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol with MolForge

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Related Compounds

4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-2-methyl-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-2-methyl-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;ethyl 3-[[6-[1-(2,4-difluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 157200684
2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-propyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 158591101
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;ethyl 3-[[2-amino-6-[1-(2,4-difluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate
CID 159395026
ethyl 3-[[2-amino-6-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylate;6-N-(5-ethyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 160070916
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;bis((4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone);hydroiodide
CID 157103970
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;methane;hydroiodide
CID 157313843
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;hydroiodide
CID 157498721
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;bis((4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone);methane;hydroiodide
CID 158784627
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;bis((4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone);methane;hydroiodide
CID 159049110
5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 159050595
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;bis((4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone);methane;hydroiodide
CID 159434120
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol;(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone;methane;hydroiodide
CID 159765471

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The IUPAC name of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol (CID 158200259) is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol is COC(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.O=C(O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.OCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The InChIKey is GAVNPTXDUUCIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5.C19H15N5O2.C19H17N5O.C18H13N5O2.C18H15N5O/c1-3-9-16(10-4-1)20-15-21(28-27-20)25-23-18-13-7-8-14-19(18)24-22(26-23)17-11-5-2-6-12-17;1-26-19(25)15-11-16(24-23-15)21-18-13-9-5-6-10-14(13)20-17(22-18)12-7-3-2-4-8-12;1-25-12-14-11-17(24-23-14)21-19-15-9-5-6-10-16(15)20-18(22-19)13-7-3-2-4-8-13;24-18(25)14-10-15(23-22-14)20-17-12-8-4-5-9-13(12)19-16(21-17)11-6-2-1-3-7-11;24-11-13-10-16(23-22-13)20-18-14-8-4-5-9-15(14)19-17(21-18)12-6-2-1-3-7-12/h1-15H,(H2,24,25,26,27,28);2-11H,1H3,(H2,20,21,22,23,24);2-11H,12H2,1H3,(H2,20,21,22,23,24);1-10H,(H,24,25)(H2,19,20,21,22,23);1-10,24H,11H2,(H2,19,20,21,22,23).
What are the key properties of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol has a molecular weight of 1688.85 g/mol, XLogP of 19.61, 21 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-phenylquinazolin-4-amine;methyl 3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate;2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid;[3-[(2-phenylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 158200259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).