3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile

C57H54Cl4N16O — CID 159295473

About 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile

3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile (PubChem CID 159295473) has the molecular formula C57H54Cl4N16O and a molecular weight of 1120.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile
• PubChem CID: 159295473
• Molecular Formula: C57H54Cl4N16O
• Molecular Weight: 1120.98 g/mol
• Exact Mass: 1118.34
• IUPAC Name: 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile
• SMILES: CCn1nc(-c2ccc(Cl)cc2)cc1N.CCn1nc(-c2ccc(Cl)cc2)cc1N(C)c1cc2c(cn1)ncn2C.CCn1nc(-c2ccc(Cl)cc2)cc1Nc1cc2c(cn1)ncn2C.N#CCC(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C19H19ClN6.C18H17ClN6.C11H12ClN3.C9H6ClNO/c1-4-26-19(9-15(23-26)13-5-7-14(20)8-6-13)25(3)18-10-17-16(11-21-18)22-12-24(17)2;1-3-25-18(8-14(23-25)12-4-6-13(19)7-5-12)22-17-9-16-15(10-20-17)21-11-24(16)2;1-2-15-11(13)7-10(14-15)8-3-5-9(12)6-4-8;10-8-3-1-7(2-4-8)9(12)5-6-11/h5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,22);3-7H,2,13H2,1H3;1-4H,5H2
• InChIKey: LAQUDEXGLYKJDI-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 197.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.98
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile?

The IUPAC name of 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile (CID 159295473) is 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile.

What is the SMILES notation for 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile?

The canonical SMILES for 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile is CCn1nc(-c2ccc(Cl)cc2)cc1N.CCn1nc(-c2ccc(Cl)cc2)cc1N(C)c1cc2c(cn1)ncn2C.CCn1nc(-c2ccc(Cl)cc2)cc1Nc1cc2c(cn1)ncn2C.N#CCC(=O)c1ccc(Cl)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile?

The InChIKey is LAQUDEXGLYKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6.C18H17ClN6.C11H12ClN3.C9H6ClNO/c1-4-26-19(9-15(23-26)13-5-7-14(20)8-6-13)25(3)18-10-17-16(11-21-18)22-12-24(17)2;1-3-25-18(8-14(23-25)12-4-6-13(19)7-5-12)22-17-9-16-15(10-20-17)21-11-24(16)2;1-2-15-11(13)7-10(14-15)8-3-5-9(12)6-4-8;10-8-3-1-7(2-4-8)9(12)5-6-11/h5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,22);3-7H,2,13H2,1H3;1-4H,5H2.

What are the key properties of 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile?

3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile has a molecular weight of 1120.98 g/mol, XLogP of 13.76, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-ethylpyrazol-5-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-methylimidazo[4,5-c]pyridin-6-amine;3-(4-chlorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 159295473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).