3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea

C19H26N4O3 — CID 125436564

About 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea

3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 125436564) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea
• PubChem CID: 125436564
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea
• SMILES: COc1ccccc1-n1cc([C@H](C)NC(=O)N(C)CC2(C)COC2)cn1
• InChI: InChI=1S/C19H26N4O3/c1-14(21-18(24)22(3)11-19(2)12-26-13-19)15-9-20-23(10-15)16-7-5-6-8-17(16)25-4/h5-10,14H,11-13H2,1-4H3,(H,21,24)/t14-/m0/s1
• InChIKey: UPRIRZWUZHOUDC-AWEZNQCLSA-N
• XLogP: 2.62
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea?

The IUPAC name of 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea (CID 125436564) is 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea.

What is the SMILES notation for 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea?

The canonical SMILES for 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea is COc1ccccc1-n1cc([C@H](C)NC(=O)N(C)CC2(C)COC2)cn1.

What is the InChIKey of 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea?

The InChIKey is UPRIRZWUZHOUDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(21-18(24)22(3)11-19(2)12-26-13-19)15-9-20-23(10-15)16-7-5-6-8-17(16)25-4/h5-10,14H,11-13H2,1-4H3,(H,21,24)/t14-/m0/s1.

What are the key properties of 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea?

3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 125436564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).