3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide

C19H22N6O2 — CID 167798674

About 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide

3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 167798674) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide
• PubChem CID: 167798674
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide
• SMILES: Cn1cc(CC2CCN(C(=O)Nc3ccc(-n4ccc(=O)[nH]4)cc3)C2)cn1
• InChI: InChI=1S/C19H22N6O2/c1-23-12-15(11-20-23)10-14-6-8-24(13-14)19(27)21-16-2-4-17(5-3-16)25-9-7-18(26)22-25/h2-5,7,9,11-12,14H,6,8,10,13H2,1H3,(H,21,27)(H,22,26)
• InChIKey: BPXWOYZLVNDCID-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 87.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide?

The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 167798674) is 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide?

The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide is Cn1cc(CC2CCN(C(=O)Nc3ccc(-n4ccc(=O)[nH]4)cc3)C2)cn1.

What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide?

The InChIKey is BPXWOYZLVNDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23-12-15(11-20-23)10-14-6-8-24(13-14)19(27)21-16-2-4-17(5-3-16)25-9-7-18(26)22-25/h2-5,7,9,11-12,14H,6,8,10,13H2,1H3,(H,21,27)(H,22,26).

What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide?

3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167798674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).