1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine

C65H61Cl2F3N18O4 — CID 158100540

About 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine

1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine (PubChem CID 158100540) has the molecular formula C65H61Cl2F3N18O4 and a molecular weight of 1286.22 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine
• PubChem CID: 158100540
• Molecular Formula: C65H61Cl2F3N18O4
• Molecular Weight: 1286.22 g/mol
• Exact Mass: 1284.45
• IUPAC Name: 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine
• SMILES: Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ccn(-c5ccc(Cl)c(F)c5)n4)C3)c12.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ccn(-c5cccc(F)c5)n4)C3)c12.N[C@H]1CCN(c2nccn3cccc23)C1.O=C(O)c1ccn(-c2ccc(Cl)c(F)c2)n1
• InChI: InChI=1S/C22H20ClFN6O.C22H21FN6O.C11H14N4.C10H6ClFN2O2/c1-14-4-8-28-11-7-25-21(20(14)28)29-9-5-15(13-29)26-22(31)19-6-10-30(27-19)16-2-3-17(23)18(24)12-16;1-15-5-9-27-12-8-24-21(20(15)27)28-10-6-17(14-28)25-22(30)19-7-11-29(26-19)18-4-2-3-16(23)13-18;12-9-3-6-15(8-9)11-10-2-1-5-14(10)7-4-13-11;11-7-2-1-6(5-8(7)12)14-4-3-9(13-14)10(15)16/h2-4,6-8,10-12,15H,5,9,13H2,1H3,(H,26,31);2-5,7-9,11-13,17H,6,10,14H2,1H3,(H,25,30);1-2,4-5,7,9H,3,6,8,12H2;1-5H,(H,15,16)/t15-;17-;9-;/m000./s1
• InChIKey: FPEYJMIIDJXRAM-YOKAJXLVSA-N
• XLogP: 9.84
• TPSA: 236.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.22
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine?

The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine (CID 158100540) is 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine.

What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine?

The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine is Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ccn(-c5ccc(Cl)c(F)c5)n4)C3)c12.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ccn(-c5cccc(F)c5)n4)C3)c12.N[C@H]1CCN(c2nccn3cccc23)C1.O=C(O)c1ccn(-c2ccc(Cl)c(F)c2)n1.

What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine?

The InChIKey is FPEYJMIIDJXRAM-YOKAJXLVSA-N. The full InChI is InChI=1S/C22H20ClFN6O.C22H21FN6O.C11H14N4.C10H6ClFN2O2/c1-14-4-8-28-11-7-25-21(20(14)28)29-9-5-15(13-29)26-22(31)19-6-10-30(27-19)16-2-3-17(23)18(24)12-16;1-15-5-9-27-12-8-24-21(20(15)27)28-10-6-17(14-28)25-22(30)19-7-11-29(26-19)18-4-2-3-16(23)13-18;12-9-3-6-15(8-9)11-10-2-1-5-14(10)7-4-13-11;11-7-2-1-6(5-8(7)12)14-4-3-9(13-14)10(15)16/h2-4,6-8,10-12,15H,5,9,13H2,1H3,(H,26,31);2-5,7-9,11-13,17H,6,10,14H2,1H3,(H,25,30);1-2,4-5,7,9H,3,6,8,12H2;1-5H,(H,15,16)/t15-;17-;9-;/m000./s1.

What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine?

1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine has a molecular weight of 1286.22 g/mol, XLogP of 9.84, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(3-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine is sourced from PubChem (CID 158100540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).