ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate

C29H36N4O2 — CID 129024687

About ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate (PubChem CID 129024687) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate
• PubChem CID: 129024687
• Molecular Formula: C29H36N4O2
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.28
• IUPAC Name: ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate
• SMILES: CCOC(=O)c1cnn(-c2cccc([C@@H]3CCC[C@@H](n4ncc5c4C(C)(C)CC5)C3)c2)c1C1CC1
• InChI: InChI=1S/C29H36N4O2/c1-4-35-28(34)25-18-31-32(26(25)19-11-12-19)23-9-5-7-20(15-23)21-8-6-10-24(16-21)33-27-22(17-30-33)13-14-29(27,2)3/h5,7,9,15,17-19,21,24H,4,6,8,10-14,16H2,1-3H3/t21-,24-/m1/s1
• InChIKey: HFWDZBRKPDYIGE-ZJSXRUAMSA-N
• XLogP: 6.25
• TPSA: 61.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate?

The IUPAC name of ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate (CID 129024687) is ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate.

What is the SMILES notation for ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate?

The canonical SMILES for ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc([C@@H]3CCC[C@@H](n4ncc5c4C(C)(C)CC5)C3)c2)c1C1CC1.

What is the InChIKey of ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate?

The InChIKey is HFWDZBRKPDYIGE-ZJSXRUAMSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-4-35-28(34)25-18-31-32(26(25)19-11-12-19)23-9-5-7-20(15-23)21-8-6-10-24(16-21)33-27-22(17-30-33)13-14-29(27,2)3/h5,7,9,15,17-19,21,24H,4,6,8,10-14,16H2,1-3H3/t21-,24-/m1/s1.

What are the key properties of ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate?

ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate has a molecular weight of 472.63 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 129024687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).