(2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol

C24H28FN3O2 — CID 93219837

About (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol

(2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (PubChem CID 93219837) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• PubChem CID: 93219837
• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.22
• IUPAC Name: (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• SMILES: C[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1
• InChI: InChI=1S/C24H28FN3O2/c1-17(29)14-28(15-18-8-9-18)16-22-23(19-6-4-3-5-7-19)26-27(2)24(22)30-21-12-10-20(25)11-13-21/h3-7,10-13,17-18,29H,8-9,14-16H2,1-2H3/t17-/m0/s1
• InChIKey: WOVMHEBXCVGAOB-KRWDZBQOSA-N
• XLogP: 4.61
• TPSA: 50.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The IUPAC name of (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (CID 93219837) is (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

What is the SMILES notation for (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The canonical SMILES for (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is C[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1.

What is the InChIKey of (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The InChIKey is WOVMHEBXCVGAOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17(29)14-28(15-18-8-9-18)16-22-23(19-6-4-3-5-7-19)26-27(2)24(22)30-21-12-10-20(25)11-13-21/h3-7,10-13,17-18,29H,8-9,14-16H2,1-2H3/t17-/m0/s1.

What are the key properties of (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

(2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol has a molecular weight of 409.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 93219837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).