5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide

C26H24FN5O3 — CID 154055258

About 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154055258) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
• PubChem CID: 154055258
• Molecular Formula: C26H24FN5O3
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.19
• IUPAC Name: 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
• SMILES: Cn1cccc1C(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1
• InChI: InChI=1S/C26H24FN5O3/c1-31-11-3-6-22(31)25(34)29-19-9-10-20(24(33)13-19)21-14-23(17-7-8-17)32(30-21)26(35)28-15-16-4-2-5-18(27)12-16/h2-6,9-14,17,33H,7-8,15H2,1H3,(H,28,35)(H,29,34)
• InChIKey: OJAYMWZNWJGWHQ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 101.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide (CID 154055258) is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide is Cn1cccc1C(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1.

What is the InChIKey of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide?

The InChIKey is OJAYMWZNWJGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-31-11-3-6-22(31)25(34)29-19-9-10-20(24(33)13-19)21-14-23(17-7-8-17)32(30-21)26(35)28-15-16-4-2-5-18(27)12-16/h2-6,9-14,17,33H,7-8,15H2,1H3,(H,28,35)(H,29,34).

What are the key properties of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide?

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).