(2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol

C26H33N3O3 — CID 93217648

About (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol

(2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol (PubChem CID 93217648) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
• PubChem CID: 93217648
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
• SMILES: CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)CC)C1CC1
• InChI: InChI=1S/C26H33N3O3/c1-4-21(30)17-28(19-15-16-19)18-22-23(5-2)27-29(20-11-7-6-8-12-20)26(22)32-25-14-10-9-13-24(25)31-3/h6-14,19,21,30H,4-5,15-18H2,1-3H3/t21-/m0/s1
• InChIKey: GIZKXXIOOSDHPZ-NRFANRHFSA-N
• XLogP: 4.97
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol (CID 93217648) is (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol.

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

The canonical SMILES for (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol is CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)CC)C1CC1.

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

The InChIKey is GIZKXXIOOSDHPZ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-21(30)17-28(19-15-16-19)18-22-23(5-2)27-29(20-11-7-6-8-12-20)26(22)32-25-14-10-9-13-24(25)31-3/h6-14,19,21,30H,4-5,15-18H2,1-3H3/t21-/m0/s1.

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

(2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol has a molecular weight of 435.57 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[cyclopropyl-[[3-ethyl-5-(2-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol is sourced from PubChem (CID 93217648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).