N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide

C20H26N8O2 — CID 19339776

About N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide (PubChem CID 19339776) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
• PubChem CID: 19339776
• Molecular Formula: C20H26N8O2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.22
• IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
• SMILES: CCn1ncc(/C=C/C(=O)Nc2cnn(CC)c2C(=O)Nc2cnn(C)c2C)c1C
• InChI: InChI=1S/C20H26N8O2/c1-6-27-13(3)15(10-22-27)8-9-18(29)24-17-12-23-28(7-2)19(17)20(30)25-16-11-21-26(5)14(16)4/h8-12H,6-7H2,1-5H3,(H,24,29)(H,25,30)/b9-8+
• InChIKey: WEHVOKWDKXWAGQ-CMDGGOBGSA-N
• XLogP: 2.37
• TPSA: 111.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide?

The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide (CID 19339776) is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide.

What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide?

The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide is CCn1ncc(/C=C/C(=O)Nc2cnn(CC)c2C(=O)Nc2cnn(C)c2C)c1C.

What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide?

The InChIKey is WEHVOKWDKXWAGQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-6-27-13(3)15(10-22-27)8-9-18(29)24-17-12-23-28(7-2)19(17)20(30)25-16-11-21-26(5)14(16)4/h8-12H,6-7H2,1-5H3,(H,24,29)(H,25,30)/b9-8+.

What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide?

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19339776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).