1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

C26H31ClN4O5 — CID 144657028

About 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 144657028) has the molecular formula C26H31ClN4O5 and a molecular weight of 515.01 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
• PubChem CID: 144657028
• Molecular Formula: C26H31ClN4O5
• Molecular Weight: 515.01 g/mol
• Exact Mass: 514.20
• IUPAC Name: 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
• SMILES: CC(C)C1CC1(C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)N1CC(Oc2ccccc2Cl)=CC1=O
• InChI: InChI=1S/C26H31ClN4O5/c1-16(2)19-12-26(19,31-14-17(11-23(31)32)35-21-8-6-5-7-20(21)27)24(33)28-22-9-10-30(29-22)13-18-15-34-25(3,4)36-18/h5-11,16,18-19H,12-15H2,1-4H3,(H,28,29,33)/t18-,19?,26?/m1/s1
• InChIKey: FBHGBPPDSYNZGT-GDZHNBNXSA-N
• XLogP: 3.85
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.01
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?

The IUPAC name of 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (CID 144657028) is 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)C1CC1(C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)N1CC(Oc2ccccc2Cl)=CC1=O.

What is the InChIKey of 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?

The InChIKey is FBHGBPPDSYNZGT-GDZHNBNXSA-N. The full InChI is InChI=1S/C26H31ClN4O5/c1-16(2)19-12-26(19,31-14-17(11-23(31)32)35-21-8-6-5-7-20(21)27)24(33)28-22-9-10-30(29-22)13-18-15-34-25(3,4)36-18/h5-11,16,18-19H,12-15H2,1-4H3,(H,28,29,33)/t18-,19?,26?/m1/s1.

What are the key properties of 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?

1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 515.01 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 144657028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).