(2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol

C29H35N3O5 — CID 93218728

About (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93218728) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
• PubChem CID: 93218728
• Molecular Formula: C29H35N3O5
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.26
• IUPAC Name: (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
• SMILES: COc1cccc(Oc2c(CN(Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1
• InChI: InChI=1S/C29H35N3O5/c1-21(2)36-20-23(33)17-32(18-26-14-9-15-35-26)19-27-28(22-10-6-5-7-11-22)30-31(3)29(27)37-25-13-8-12-24(16-25)34-4/h5-16,21,23,33H,17-20H2,1-4H3/t23-/m1/s1
• InChIKey: UQWQNCROWYLDBD-HSZRJFAPSA-N
• XLogP: 5.27
• TPSA: 82.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 93218728) is (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol.

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

The canonical SMILES for (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol is COc1cccc(Oc2c(CN(Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1.

What is the InChIKey of (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol?

The InChIKey is UQWQNCROWYLDBD-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-21(2)36-20-23(33)17-32(18-26-14-9-15-35-26)19-27-28(22-10-6-5-7-11-22)30-31(3)29(27)37-25-13-8-12-24(16-25)34-4/h5-16,21,23,33H,17-20H2,1-4H3/t23-/m1/s1.

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

(2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 505.62 g/mol, XLogP of 5.27, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93218728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).