3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C117H128BrN15O12 — CID 162201431

About 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 162201431) has the molecular formula C117H128BrN15O12 and a molecular weight of 2016.31 g/mol. Its IUPAC name is 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
• PubChem CID: 162201431
• Molecular Formula: C117H128BrN15O12
• Molecular Weight: 2016.31 g/mol
• Exact Mass: 2013.91
• IUPAC Name: 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
• SMILES: C=CCBr.C=CCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.C=CCn1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CCCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.CCCn1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CO.CO.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C23H25N3O2.C23H23N3O2.C23H25N3O2.C23H23N3O2.C20H19N3O2.C3H5Br.2CH4O/c2*1-2-14-26-21-13-15-25(22(27)17-28-19-11-7-4-8-12-19)16-20(21)23(24-26)18-9-5-3-6-10-18;2*1-2-14-26-23(18-9-5-3-6-10-18)20-16-25(15-13-21(20)24-26)22(27)17-28-19-11-7-4-8-12-19;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;1-2-3-4;2*1-2/h3-12H,2,13-17H2,1H3;2-12H,1,13-17H2;3-12H,2,13-17H2,1H3;2-12H,1,13-17H2;1-10H,11-14H2,(H,21,22);2H,1,3H2;2*2H,1H3
• InChIKey: ZRQFDIUDZKUGNV-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 288.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.31
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The IUPAC name of 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 162201431) is 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

What is the SMILES notation for 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The canonical SMILES for 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is C=CCBr.C=CCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.C=CCn1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CCCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.CCCn1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CO.CO.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

The InChIKey is ZRQFDIUDZKUGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C23H23N3O2.C23H25N3O2.C23H23N3O2.C20H19N3O2.C3H5Br.2CH4O/c2*1-2-14-26-21-13-15-25(22(27)17-28-19-11-7-4-8-12-19)16-20(21)23(24-26)18-9-5-3-6-10-18;2*1-2-14-26-23(18-9-5-3-6-10-18)20-16-25(15-13-21(20)24-26)22(27)17-28-19-11-7-4-8-12-19;24-19(14-25-16-9-5-2-6-10-16)23-12-11-18-17(13-23)20(22-21-18)15-7-3-1-4-8-15;1-2-3-4;2*1-2/h3-12H,2,13-17H2,1H3;2-12H,1,13-17H2;3-12H,2,13-17H2,1H3;2-12H,1,13-17H2;1-10H,11-14H2,(H,21,22);2H,1,3H2;2*2H,1H3.

What are the key properties of 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?

3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 2016.31 g/mol, XLogP of 19.07, 29 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 162201431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).