1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

C20H23FN6O — CID 125439921

About 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 125439921) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
• PubChem CID: 125439921
• Molecular Formula: C20H23FN6O
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.19
• IUPAC Name: 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
• SMILES: C[C@@H](NC(=O)N(Cc1cnn(C)c1)C1CC1)c1cnn(-c2ccccc2F)c1
• InChI: InChI=1S/C20H23FN6O/c1-14(16-10-23-27(13-16)19-6-4-3-5-18(19)21)24-20(28)26(17-7-8-17)12-15-9-22-25(2)11-15/h3-6,9-11,13-14,17H,7-8,12H2,1-2H3,(H,24,28)/t14-/m1/s1
• InChIKey: SNAYKGXCCFAARP-CQSZACIVSA-N
• XLogP: 3.18
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The IUPAC name of 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 125439921) is 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is C[C@@H](NC(=O)N(Cc1cnn(C)c1)C1CC1)c1cnn(-c2ccccc2F)c1.

What is the InChIKey of 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The InChIKey is SNAYKGXCCFAARP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-14(16-10-23-27(13-16)19-6-4-3-5-18(19)21)24-20(28)26(17-7-8-17)12-15-9-22-25(2)11-15/h3-6,9-11,13-14,17H,7-8,12H2,1-2H3,(H,24,28)/t14-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 382.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 125439921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).