1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C26H29FN4O2 — CID 30523169

About 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 30523169) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• PubChem CID: 30523169
• Molecular Formula: C26H29FN4O2
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.23
• IUPAC Name: 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• SMILES: COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC1
• InChI: InChI=1S/C26H29FN4O2/c1-33-24-10-3-2-7-20(24)23(30-15-4-5-16-30)17-28-26(32)25-21-8-6-9-22(21)31(29-25)19-13-11-18(27)12-14-19/h2-3,7,10-14,23H,4-6,8-9,15-17H2,1H3,(H,28,32)/t23-/m0/s1
• InChIKey: NISCNXLZSJKHOJ-QHCPKHFHSA-N
• XLogP: 4.08
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 30523169) is 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The InChIKey is NISCNXLZSJKHOJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-33-24-10-3-2-7-20(24)23(30-15-4-5-16-30)17-28-26(32)25-21-8-6-9-22(21)31(29-25)19-13-11-18(27)12-14-19/h2-3,7,10-14,23H,4-6,8-9,15-17H2,1H3,(H,28,32)/t23-/m0/s1.

What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 30523169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).