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

C18H22N8O2 — CID 19339082

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

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide (PubChem CID 19339082) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-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-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
• PubChem CID: 19339082
• Molecular Formula: C18H22N8O2
• Molecular Weight: 382.43 g/mol
• Exact Mass: 382.19
• IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
• SMILES: CCn1ncc(NC(=O)/C=C/c2cnn(C)c2)c1C(=O)Nc1cnn(C)c1C
• InChI: InChI=1S/C18H22N8O2/c1-5-26-17(18(28)23-14-9-20-25(4)12(14)2)15(10-21-26)22-16(27)7-6-13-8-19-24(3)11-13/h6-11H,5H2,1-4H3,(H,22,27)(H,23,28)/b7-6+
• InChIKey: OCGGKADGJUQPGX-VOTSOKGWSA-N
• XLogP: 1.58
• TPSA: 111.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.43
LogP ≤ 5	1.58
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-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-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide (CID 19339082) is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-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-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-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)/C=C/c2cnn(C)c2)c1C(=O)Nc1cnn(C)c1C.

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

The InChIKey is OCGGKADGJUQPGX-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-5-26-17(18(28)23-14-9-20-25(4)12(14)2)15(10-21-26)22-16(27)7-6-13-8-19-24(3)11-13/h6-11H,5H2,1-4H3,(H,22,27)(H,23,28)/b7-6+.

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

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.58, 6 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-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19339082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).