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

C63H57Cl2F3N18O4 — CID 158347842

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

1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine (PubChem CID 158347842) has the molecular formula C63H57Cl2F3N18O4 and a molecular weight of 1258.17 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-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)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine
• PubChem CID: 158347842
• Molecular Formula: C63H57Cl2F3N18O4
• Molecular Weight: 1258.17 g/mol
• Exact Mass: 1256.41
• IUPAC Name: 1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine
• SMILES: N[C@H]1CCN(c2nccn3cccc23)C1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)c(F)c2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2cccc(F)c2)n1.O=C(O)c1ccn(-c2ccc(Cl)c(F)c2)n1
• InChI: InChI=1S/C21H18ClFN6O.C21H19FN6O.C11H14N4.C10H6ClFN2O2/c22-16-4-3-15(12-17(16)23)29-10-6-18(26-29)21(30)25-14-5-9-28(13-14)20-19-2-1-8-27(19)11-7-24-20;22-15-3-1-4-17(13-15)28-11-7-18(25-28)21(29)24-16-6-10-27(14-16)20-19-5-2-9-26(19)12-8-23-20;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/h1-4,6-8,10-12,14H,5,9,13H2,(H,25,30);1-5,7-9,11-13,16H,6,10,14H2,(H,24,29);1-2,4-5,7,9H,3,6,8,12H2;1-5H,(H,15,16)/t14-;16-;9-;/m000./s1
• InChIKey: GRYIJCIDPGCDRA-BKUVXEFZSA-N
• XLogP: 9.22
• TPSA: 236.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.17
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-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)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine (CID 158347842) is 1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-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)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-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)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine is N[C@H]1CCN(c2nccn3cccc23)C1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)c(F)c2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2cccc(F)c2)n1.O=C(O)c1ccn(-c2ccc(Cl)c(F)c2)n1.

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

The InChIKey is GRYIJCIDPGCDRA-BKUVXEFZSA-N. The full InChI is InChI=1S/C21H18ClFN6O.C21H19FN6O.C11H14N4.C10H6ClFN2O2/c22-16-4-3-15(12-17(16)23)29-10-6-18(26-29)21(30)25-14-5-9-28(13-14)20-19-2-1-8-27(19)11-7-24-20;22-15-3-1-4-17(13-15)28-11-7-18(25-28)21(29)24-16-6-10-27(14-16)20-19-5-2-9-26(19)12-8-23-20;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/h1-4,6-8,10-12,14H,5,9,13H2,(H,25,30);1-5,7-9,11-13,16H,6,10,14H2,(H,24,29);1-2,4-5,7,9H,3,6,8,12H2;1-5H,(H,15,16)/t14-;16-;9-;/m000./s1.

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

1-(4-chloro-3-fluorophenyl)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine has a molecular weight of 1258.17 g/mol, XLogP of 9.22, 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)pyrazole-3-carboxylic acid;1-(4-chloro-3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-amine is sourced from PubChem (CID 158347842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).