2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C23H21ClN4O3 — CID 41311578

About 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 41311578) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

• Compound Name: 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
• PubChem CID: 41311578
• Molecular Formula: C23H21ClN4O3
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.13
• IUPAC Name: 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
• SMILES: O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1
• InChI: InChI=1S/C23H21ClN4O3/c24-17-9-7-15(8-10-17)19-13-20(21-6-3-11-31-21)28(26-19)23(30)14-27-22(29)12-16-4-1-2-5-18(16)25-27/h3,6-12,20H,1-2,4-5,13-14H2/t20-/m1/s1
• InChIKey: CZCUPPWWXYWJQU-HXUWFJFHSA-N
• XLogP: 3.75
• TPSA: 80.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The IUPAC name of 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 41311578) is 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

What is the SMILES notation for 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The canonical SMILES for 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1.

What is the InChIKey of 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The InChIKey is CZCUPPWWXYWJQU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-17-9-7-15(8-10-17)19-13-20(21-6-3-11-31-21)28(26-19)23(30)14-27-22(29)12-16-4-1-2-5-18(16)25-27/h3,6-12,20H,1-2,4-5,13-14H2/t20-/m1/s1.

What are the key properties of 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 436.90 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 41311578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).