5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate

C73H76BrCl3N10O11 — CID 159896054

About 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate

5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate (PubChem CID 159896054) has the molecular formula C73H76BrCl3N10O11 and a molecular weight of 1455.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate
• PubChem CID: 159896054
• Molecular Formula: C73H76BrCl3N10O11
• Molecular Weight: 1455.73 g/mol
• Exact Mass: 1452.39
• IUPAC Name: 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate
• SMILES: CC(=O)c1ccncc1Cc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1.COC(=O)c1ccncc1Br.Nc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1.O=C(O)c1ccncc1Cc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1
• InChI: InChI=1S/C25H26ClN3O3.C24H24ClN3O4.C17H20ClN3O2.C7H6BrNO2/c1-17(30)23-7-10-27-16-19(23)14-21-15-24(18-3-2-4-20(26)13-18)29(28-21)22-5-8-25(9-6-22)31-11-12-32-25;25-18-3-1-2-16(12-18)22-14-19(13-17-15-26-9-6-21(17)23(29)30)27-28(22)20-4-7-24(8-5-20)31-10-11-32-24;18-13-3-1-2-12(10-13)15-11-16(19)20-21(15)14-4-6-17(7-5-14)22-8-9-23-17;1-11-7(10)5-2-3-9-4-6(5)8/h2-4,7,10,13,15-16,22H,5-6,8-9,11-12,14H2,1H3;1-3,6,9,12,14-15,20H,4-5,7-8,10-11,13H2,(H,29,30);1-3,10-11,14H,4-9H2,(H2,19,20);2-4H,1H3
• InChIKey: NVIYCNZJTSCTPD-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 254.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.73
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate?

The IUPAC name of 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate (CID 159896054) is 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate.

What is the SMILES notation for 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate?

The canonical SMILES for 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate is CC(=O)c1ccncc1Cc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1.COC(=O)c1ccncc1Br.Nc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1.O=C(O)c1ccncc1Cc1cc(-c2cccc(Cl)c2)n(C2CCC3(CC2)OCCO3)n1.

What is the InChIKey of 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate?

The InChIKey is NVIYCNZJTSCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3.C24H24ClN3O4.C17H20ClN3O2.C7H6BrNO2/c1-17(30)23-7-10-27-16-19(23)14-21-15-24(18-3-2-4-20(26)13-18)29(28-21)22-5-8-25(9-6-22)31-11-12-32-25;25-18-3-1-2-16(12-18)22-14-19(13-17-15-26-9-6-21(17)23(29)30)27-28(22)20-4-7-24(8-5-20)31-10-11-32-24;18-13-3-1-2-12(10-13)15-11-16(19)20-21(15)14-4-6-17(7-5-14)22-8-9-23-17;1-11-7(10)5-2-3-9-4-6(5)8/h2-4,7,10,13,15-16,22H,5-6,8-9,11-12,14H2,1H3;1-3,6,9,12,14-15,20H,4-5,7-8,10-11,13H2,(H,29,30);1-3,10-11,14H,4-9H2,(H2,19,20);2-4H,1H3.

What are the key properties of 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate?

5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate has a molecular weight of 1455.73 g/mol, XLogP of 15.27, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-amine;3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-(3-chlorophenyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-4-pyridinyl]ethanone;methyl 3-bromopyridine-4-carboxylate is sourced from PubChem (CID 159896054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).