1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea

C19H25N5O3 — CID 97444695

About 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 97444695) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
• PubChem CID: 97444695
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
• SMILES: COC[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1C)c1ccnn1C
• InChI: InChI=1S/C19H25N5O3/c1-13-6-7-14(24-10-4-5-18(24)25)11-15(13)21-19(26)22-16(12-27-3)17-8-9-20-23(17)2/h6-9,11,16H,4-5,10,12H2,1-3H3,(H2,21,22,26)/t16-/m0/s1
• InChIKey: UIMOODIELIDBDP-INIZCTEOSA-N
• XLogP: 2.36
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?

The IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 97444695) is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea.

What is the SMILES notation for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?

The canonical SMILES for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea is COC[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1C)c1ccnn1C.

What is the InChIKey of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?

The InChIKey is UIMOODIELIDBDP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-6-7-14(24-10-4-5-18(24)25)11-15(13)21-19(26)22-16(12-27-3)17-8-9-20-23(17)2/h6-9,11,16H,4-5,10,12H2,1-3H3,(H2,21,22,26)/t16-/m0/s1.

What are the key properties of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 371.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 97444695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).