(2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol

C30H35N3O3 — CID 93217382

About (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol

(2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol (PubChem CID 93217382) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol
• PubChem CID: 93217382
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol
• SMILES: COc1ccccc1Oc1c(CN(C[C@H](O)Cc2ccccc2)C(C)C)c(C)nn1-c1ccccc1
• InChI: InChI=1S/C30H35N3O3/c1-22(2)32(20-26(34)19-24-13-7-5-8-14-24)21-27-23(3)31-33(25-15-9-6-10-16-25)30(27)36-29-18-12-11-17-28(29)35-4/h5-18,22,26,34H,19-21H2,1-4H3/t26-/m1/s1
• InChIKey: MHRMMUXLUGHKAV-AREMUKBSSA-N
• XLogP: 5.80
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol?

The IUPAC name of (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol (CID 93217382) is (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol.

What is the SMILES notation for (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol?

The canonical SMILES for (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol is COc1ccccc1Oc1c(CN(C[C@H](O)Cc2ccccc2)C(C)C)c(C)nn1-c1ccccc1.

What is the InChIKey of (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol?

The InChIKey is MHRMMUXLUGHKAV-AREMUKBSSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-22(2)32(20-26(34)19-24-13-7-5-8-14-24)21-27-23(3)31-33(25-15-9-6-10-16-25)30(27)36-29-18-12-11-17-28(29)35-4/h5-18,22,26,34H,19-21H2,1-4H3/t26-/m1/s1.

What are the key properties of (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol?

(2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol has a molecular weight of 485.63 g/mol, XLogP of 5.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93217382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).