N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione

C37H30Cl2N8O4 — CID 159662953

About N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione

N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 159662953) has the molecular formula C37H30Cl2N8O4 and a molecular weight of 721.61 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione
• PubChem CID: 159662953
• Molecular Formula: C37H30Cl2N8O4
• Molecular Weight: 721.61 g/mol
• Exact Mass: 720.18
• IUPAC Name: N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(NCC4CC4)nc23)c(-c2cccc(Cl)c2)n1.O=C(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
• InChI: InChI=1S/C21H20ClN7O.C16H10ClNO3/c1-28-12-17(19(27-28)14-3-2-4-15(22)9-14)25-21(30)16-11-24-29-8-7-18(26-20(16)29)23-10-13-5-6-13;17-11-5-3-4-10(8-11)14(19)9-18-15(20)12-6-1-2-7-13(12)16(18)21/h2-4,7-9,11-13H,5-6,10H2,1H3,(H,23,26)(H,25,30);1-8H,9H2
• InChIKey: MTAUIHMJJDYHSR-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 143.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.61
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione?

The IUPAC name of N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione (CID 159662953) is N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione.

What is the SMILES notation for N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione?

The canonical SMILES for N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione is Cn1cc(NC(=O)c2cnn3ccc(NCC4CC4)nc23)c(-c2cccc(Cl)c2)n1.O=C(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1.

What is the InChIKey of N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione?

The InChIKey is MTAUIHMJJDYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O.C16H10ClNO3/c1-28-12-17(19(27-28)14-3-2-4-15(22)9-14)25-21(30)16-11-24-29-8-7-18(26-20(16)29)23-10-13-5-6-13;17-11-5-3-4-10(8-11)14(19)9-18-15(20)12-6-1-2-7-13(12)16(18)21/h2-4,7-9,11-13H,5-6,10H2,1H3,(H,23,26)(H,25,30);1-8H,9H2.

What are the key properties of N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione?

N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 721.61 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[2-(3-chlorophenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 159662953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).