1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

C18H23N7O2 — CID 97443682

About 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 97443682) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
• PubChem CID: 97443682
• Molecular Formula: C18H23N7O2
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.19
• IUPAC Name: 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
• SMILES: COC[C@H](NC(=O)Nc1cccc(-c2nncn2C)c1C)c1ccnn1C
• InChI: InChI=1S/C18H23N7O2/c1-12-13(17-23-19-11-24(17)2)6-5-7-14(12)21-18(26)22-15(10-27-4)16-8-9-20-25(16)3/h5-9,11,15H,10H2,1-4H3,(H2,21,22,26)/t15-/m0/s1
• InChIKey: UEGREGYPUQAXJY-HNNXBMFYSA-N
• XLogP: 2.03
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?

The IUPAC name of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 97443682) is 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

What is the SMILES notation for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?

The canonical SMILES for 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is COC[C@H](NC(=O)Nc1cccc(-c2nncn2C)c1C)c1ccnn1C.

What is the InChIKey of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?

The InChIKey is UEGREGYPUQAXJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-12-13(17-23-19-11-24(17)2)6-5-7-14(12)21-18(26)22-15(10-27-4)16-8-9-20-25(16)3/h5-9,11,15H,10H2,1-4H3,(H2,21,22,26)/t15-/m0/s1.

What are the key properties of 1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?

1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 97443682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).