1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C19H24N6O2 — CID 118781085

About 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 118781085) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• PubChem CID: 118781085
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• SMILES: COc1ccccc1Cn1nccc1NC(=O)NC(C)Cc1cc(C)[nH]n1
• InChI: InChI=1S/C19H24N6O2/c1-13(10-16-11-14(2)23-24-16)21-19(26)22-18-8-9-20-25(18)12-15-6-4-5-7-17(15)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,23,24)(H2,21,22,26)
• InChIKey: CMGAHSGUQPMFMS-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 96.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 118781085) is 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The canonical SMILES for 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is COc1ccccc1Cn1nccc1NC(=O)NC(C)Cc1cc(C)[nH]n1.

What is the InChIKey of 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The InChIKey is CMGAHSGUQPMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(10-16-11-14(2)23-24-16)21-19(26)22-18-8-9-20-25(18)12-15-6-4-5-7-17(15)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,23,24)(H2,21,22,26).

What are the key properties of 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 118781085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).