1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea

C18H19ClN6O2 — CID 97444345

About 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 97444345) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea
• PubChem CID: 97444345
• Molecular Formula: C18H19ClN6O2
• Molecular Weight: 386.84 g/mol
• Exact Mass: 386.13
• IUPAC Name: 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea
• SMILES: C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Cl)c1nc(C2CC2)no1
• InChI: InChI=1S/C18H19ClN6O2/c1-11(17-23-16(24-27-17)12-6-7-12)21-18(26)22-15-8-9-20-25(15)10-13-4-2-3-5-14(13)19/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,21,22,26)/t11-/m1/s1
• InChIKey: LEQWOLBALBZYKA-LLVKDONJSA-N
• XLogP: 3.73
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.84
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 97444345) is 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea is C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Cl)c1nc(C2CC2)no1.

What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The InChIKey is LEQWOLBALBZYKA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-11(17-23-16(24-27-17)12-6-7-12)21-18(26)22-15-8-9-20-25(15)10-13-4-2-3-5-14(13)19/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,21,22,26)/t11-/m1/s1.

What are the key properties of 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea?

1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 386.84 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 97444345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).