3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid

C152H164Cl9IN40O31Si — CID 159620301

IUPAC3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(C(=O)N=[N+]=[N-])nn1C.COC(=O)c1cc(C(=O)O)nn1C.COC(=O)c1cc(C(=O)OC)[nH]n1.COC(=O)c1cc(C(=O)OC)n(C)n1.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12.O=C(O)c1cc(C(=O)O)[nH]n1.O=Cc1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si.C14H15N3O4.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C8H10N2O4.C7H5ClO.C7H7N5O3.2C7H8N2O4.C6H9N3O2.C5H4N2O4/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;1-10-6(8(12)14-3)4-5(9-10)7(11)13-2;8-7-3-1-2-6(4-7)5-9;1-12-5(7(14)15-2)3-4(10-12)6(13)9-11-8;1-12-6(10)4-3-5(9-8-4)7(11)13-2;1-9-5(7(12)13-2)3-4(8-9)6(10)11;1-9-4(6(10)11-2)3-5(7)8-9;8-4(9)2-1-3(5(10)11)7-6-2/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3;3-8H,9H2,1-2H3,(H,15,16,19);3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);4H,1-3H3;1-5H;3H,1-2H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,10,11);3H,1-2H3,(H2,7,8);1H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyMNUSVPKWMHRVHP-UHFFFAOYSA-N
MW3521.30 g/mol
LogP26.81
Rot. Bonds42

About 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid

3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid (PubChem CID 159620301) has the molecular formula C152H164Cl9IN40O31Si and a molecular weight of 3521.30 g/mol. Its IUPAC name is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid.

Molecular Properties

Compound Name3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid
PubChem CID159620301
Molecular FormulaC152H164Cl9IN40O31Si
Molecular Weight3521.30 g/mol
Exact Mass3514.85
IUPAC Name3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(C(=O)N=[N+]=[N-])nn1C.COC(=O)c1cc(C(=O)O)nn1C.COC(=O)c1cc(C(=O)OC)[nH]n1.COC(=O)c1cc(C(=O)OC)n(C)n1.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12.O=C(O)c1cc(C(=O)O)[nH]n1.O=Cc1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si.C14H15N3O4.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C8H10N2O4.C7H5ClO.C7H7N5O3.2C7H8N2O4.C6H9N3O2.C5H4N2O4/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;1-10-6(8(12)14-3)4-5(9-10)7(11)13-2;8-7-3-1-2-6(4-7)5-9;1-12-5(7(14)15-2)3-4(10-12)6(13)9-11-8;1-12-6(10)4-3-5(9-8-4)7(11)13-2;1-9-5(7(12)13-2)3-4(8-9)6(10)11;1-9-4(6(10)11-2)3-5(7)8-9;8-4(9)2-1-3(5(10)11)7-6-2/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3;3-8H,9H2,1-2H3,(H,15,16,19);3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);4H,1-3H3;1-5H;3H,1-2H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,10,11);3H,1-2H3,(H2,7,8);1H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyMNUSVPKWMHRVHP-UHFFFAOYSA-N
XLogP26.81
TPSA924.27 Ų
H-Bond Donors16
H-Bond Acceptors60
Rotatable Bonds42
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003521.30
LogP ≤ 526.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid with MolForge

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Related Compounds

(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157260141
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157689310
3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;(5-fluoro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 157789881
3-Chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 158935497
3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 159270472
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazol-5-yl]methanol;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine;1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde
CID 160309655
5-chloro-3-[[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]methanol;1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazole-5-carbaldehyde
CID 161963567
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 162132595

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid?
The IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid (CID 159620301) is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid.
What is the SMILES notation for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid?
The canonical SMILES for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(C(=O)N=[N+]=[N-])nn1C.COC(=O)c1cc(C(=O)O)nn1C.COC(=O)c1cc(C(=O)OC)[nH]n1.COC(=O)c1cc(C(=O)OC)n(C)n1.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C(O)c1c[nH]c2ncc(Cl)cc12.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.Cn1nc(NCc2cccc(Cl)c2)cc1Cc1c[nH]c2ncc(Cl)cc12.O=C(O)c1cc(C(=O)O)[nH]n1.O=Cc1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid?
The InChIKey is MNUSVPKWMHRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O.C19H17Cl2N5.C16H24ClIN2Si.C14H15N3O4.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C8H10N2O4.C7H5ClO.C7H7N5O3.2C7H8N2O4.C6H9N3O2.C5H4N2O4/c1-26-16(7-17(25-26)22-8-11-3-2-4-12(20)5-11)18(27)15-10-24-19-14(15)6-13(21)9-23-19;1-26-16(6-13-10-23-19-17(13)7-15(21)11-24-19)8-18(25-26)22-9-12-3-2-4-14(20)5-12;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)20-2)8-12(16-17)15-14(19)21-9-10-6-4-3-5-7-10;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;1-10-6(8(12)14-3)4-5(9-10)7(11)13-2;8-7-3-1-2-6(4-7)5-9;1-12-5(7(14)15-2)3-4(10-12)6(13)9-11-8;1-12-6(10)4-3-5(9-8-4)7(11)13-2;1-9-5(7(12)13-2)3-4(8-9)6(10)11;1-9-4(6(10)11-2)3-5(7)8-9;8-4(9)2-1-3(5(10)11)7-6-2/h2-7,9-10,18,27H,8H2,1H3,(H,22,25)(H,23,24);2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24);7-12H,1-6H3;3-8H,9H2,1-2H3,(H,15,16,19);3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);4H,1-3H3;1-5H;3H,1-2H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,10,11);3H,1-2H3,(H2,7,8);1H,(H,6,7)(H,8,9)(H,10,11).
What are the key properties of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid?
3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid has a molecular weight of 3521.30 g/mol, XLogP of 26.81, 42 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;dimethyl 1-methylpyrazole-3,5-dicarboxylate;dimethyl 1H-pyrazole-3,5-dicarboxylate;5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-carbonazidoyl-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate;methyl 1-methyl-3-(phenylmethoxycarbonylamino)pyrazole-5-carboxylate;1H-pyrazole-3,5-dicarboxylic acid is sourced from PubChem (CID 159620301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).