ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C27H27N5O4 — CID 26134348

About ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26134348) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26134348
• Molecular Formula: C27H27N5O4
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.21
• IUPAC Name: ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc(-c3ccccc3OC)n[nH]1)CC2
• InChI: InChI=1S/C27H27N5O4/c1-3-36-27(34)25-20-17-31(14-13-23(20)32(30-25)16-18-9-5-4-6-10-18)26(33)22-15-21(28-29-22)19-11-7-8-12-24(19)35-2/h4-12,15H,3,13-14,16-17H2,1-2H3,(H,28,29)
• InChIKey: HFCFXIWGCPTSNS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 102.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26134348) is ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc(-c3ccccc3OC)n[nH]1)CC2.

What is the InChIKey of ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is HFCFXIWGCPTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-3-36-27(34)25-20-17-31(14-13-23(20)32(30-25)16-18-9-5-4-6-10-18)26(33)22-15-21(28-29-22)19-11-7-8-12-24(19)35-2/h4-12,15H,3,13-14,16-17H2,1-2H3,(H,28,29).

What are the key properties of ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 485.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26134348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).