1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine

C105H111F5N30O19 — CID 159053999

About 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine

1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159053999) has the molecular formula C105H111F5N30O19 and a molecular weight of 2192.22 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159053999
• Molecular Formula: C105H111F5N30O19
• Molecular Weight: 2192.22 g/mol
• Exact Mass: 2190.86
• IUPAC Name: 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine
• SMILES: CCn1nc(N)cc1C(=O)OC.CCn1nc(NCc2ccc(F)cc2)cc1C(=O)OC.CCn1nc(NCc2ccc(F)cc2)cc1C(OC)c1c[nH]c2ncccc12.CCn1nc(NCc2ccc(F)cc2)cc1C=O.CCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncccc12.CCn1nc([N+](=O)[O-])cc1C(=O)OC.COC(=O)c1cc([N+](=O)[O-])[nH]n1.O=C(O)c1cc([N+](=O)[O-])[nH]n1.O=Cc1ccc(F)cc1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H22FN5O.C20H20FN5.C14H16FN3O2.C13H14FN3O.C7H5FO.C7H9N3O4.C7H11N3O2.C7H6N2.C5H5N3O4.C4H3N3O4/c1-3-27-18(11-19(26-27)24-12-14-6-8-15(22)9-7-14)20(28-2)17-13-25-21-16(17)5-4-10-23-21;1-2-26-17(10-15-13-24-20-18(15)4-3-9-22-20)11-19(25-26)23-12-14-5-7-16(21)8-6-14;1-3-18-12(14(19)20-2)8-13(17-18)16-9-10-4-6-11(15)7-5-10;1-2-17-12(9-18)7-13(16-17)15-8-10-3-5-11(14)6-4-10;8-7-3-1-6(5-9)2-4-7;1-3-9-5(7(11)14-2)4-6(8-9)10(12)13;1-3-10-5(7(11)12-2)4-6(8)9-10;1-2-6-3-5-9-7(6)8-4-1;1-12-5(9)3-2-4(7-6-3)8(10)11;8-4(9)2-1-3(6-5-2)7(10)11/h4-11,13,20H,3,12H2,1-2H3,(H,23,25)(H,24,26);3-9,11,13H,2,10,12H2,1H3,(H,22,24)(H,23,25);4-8H,3,9H2,1-2H3,(H,16,17);3-7,9H,2,8H2,1H3,(H,15,16);1-5H;4H,3H2,1-2H3;4H,3H2,1-2H3,(H2,8,9);1-5H,(H,8,9);2H,1H3,(H,6,7);1H,(H,5,6)(H,8,9)
• InChIKey: JXPZYAZJIOVIEC-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 639.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2192.22
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine (CID 159053999) is 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine is CCn1nc(N)cc1C(=O)OC.CCn1nc(NCc2ccc(F)cc2)cc1C(=O)OC.CCn1nc(NCc2ccc(F)cc2)cc1C(OC)c1c[nH]c2ncccc12.CCn1nc(NCc2ccc(F)cc2)cc1C=O.CCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncccc12.CCn1nc([N+](=O)[O-])cc1C(=O)OC.COC(=O)c1cc([N+](=O)[O-])[nH]n1.O=C(O)c1cc([N+](=O)[O-])[nH]n1.O=Cc1ccc(F)cc1.c1cnc2[nH]ccc2c1.

What is the InChIKey of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is JXPZYAZJIOVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.C20H20FN5.C14H16FN3O2.C13H14FN3O.C7H5FO.C7H9N3O4.C7H11N3O2.C7H6N2.C5H5N3O4.C4H3N3O4/c1-3-27-18(11-19(26-27)24-12-14-6-8-15(22)9-7-14)20(28-2)17-13-25-21-16(17)5-4-10-23-21;1-2-26-17(10-15-13-24-20-18(15)4-3-9-22-20)11-19(25-26)23-12-14-5-7-16(21)8-6-14;1-3-18-12(14(19)20-2)8-13(17-18)16-9-10-4-6-11(15)7-5-10;1-2-17-12(9-18)7-13(16-17)15-8-10-3-5-11(14)6-4-10;8-7-3-1-6(5-9)2-4-7;1-3-9-5(7(11)14-2)4-6(8-9)10(12)13;1-3-10-5(7(11)12-2)4-6(8)9-10;1-2-6-3-5-9-7(6)8-4-1;1-12-5(9)3-2-4(7-6-3)8(10)11;8-4(9)2-1-3(6-5-2)7(10)11/h4-11,13,20H,3,12H2,1-2H3,(H,23,25)(H,24,26);3-9,11,13H,2,10,12H2,1H3,(H,22,24)(H,23,25);4-8H,3,9H2,1-2H3,(H,16,17);3-7,9H,2,8H2,1H3,(H,15,16);1-5H;4H,3H2,1-2H3;4H,3H2,1-2H3,(H2,8,9);1-5H,(H,8,9);2H,1H3,(H,6,7);1H,(H,5,6)(H,8,9).

What are the key properties of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine?

1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2192.22 g/mol, XLogP of 17.49, 33 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159053999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).