(2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol

C29H38N4O4 — CID 93224467

About (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 93224467) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 93224467
• Molecular Formula: C29H38N4O4
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.29
• IUPAC Name: (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• SMILES: CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](O)CN1CCOCC1)C1CC1
• InChI: InChI=1S/C29H38N4O4/c1-3-28-27(21-32(22-9-10-22)20-24(34)19-31-15-17-36-18-16-31)29(33(30-28)23-7-5-4-6-8-23)37-26-13-11-25(35-2)12-14-26/h4-8,11-14,22,24,34H,3,9-10,15-21H2,1-2H3/t24-/m1/s1
• InChIKey: MHGVBCTVDTWJDN-XMMPIXPASA-N
• XLogP: 3.89
• TPSA: 72.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 93224467) is (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](O)CN1CCOCC1)C1CC1.

What is the InChIKey of (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The InChIKey is MHGVBCTVDTWJDN-XMMPIXPASA-N. The full InChI is InChI=1S/C29H38N4O4/c1-3-28-27(21-32(22-9-10-22)20-24(34)19-31-15-17-36-18-16-31)29(33(30-28)23-7-5-4-6-8-23)37-26-13-11-25(35-2)12-14-26/h4-8,11-14,22,24,34H,3,9-10,15-21H2,1-2H3/t24-/m1/s1.

What are the key properties of (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

(2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 506.65 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[cyclopropyl-[[3-ethyl-5-(4-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 93224467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).