(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide

C15H23N7O — CID 129474468

About (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 129474468) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
• PubChem CID: 129474468
• Molecular Formula: C15H23N7O
• Molecular Weight: 317.40 g/mol
• Exact Mass: 317.20
• IUPAC Name: (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
• SMILES: Cc1[nH]ncc1CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1
• InChI: InChI=1S/C15H23N7O/c1-11-12(9-18-19-11)8-17-15(23)22-7-6-20(2)13(10-22)14-16-4-5-21(14)3/h4-5,9,13H,6-8,10H2,1-3H3,(H,17,23)(H,18,19)/t13-/m0/s1
• InChIKey: ZZFULPRNYHSLCO-ZDUSSCGKSA-N
• XLogP: 0.65
• TPSA: 82.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.40
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide?

The IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide (CID 129474468) is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide.

What is the SMILES notation for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide?

The canonical SMILES for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide is Cc1[nH]ncc1CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1.

What is the InChIKey of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide?

The InChIKey is ZZFULPRNYHSLCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-12(9-18-19-11)8-17-15(23)22-7-6-20(2)13(10-22)14-16-4-5-21(14)3/h4-5,9,13H,6-8,10H2,1-3H3,(H,17,23)(H,18,19)/t13-/m0/s1.

What are the key properties of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide?

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 129474468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).