1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C18H25N7O — CID 19270593

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19270593) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
• PubChem CID: 19270593
• Molecular Formula: C18H25N7O
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.21
• IUPAC Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
• SMILES: CCn1ncc(C(C)NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c1C
• InChI: InChI=1S/C18H25N7O/c1-6-24-15(5)16(10-19-24)14(4)20-18(26)17-7-8-23(22-17)11-25-13(3)9-12(2)21-25/h7-10,14H,6,11H2,1-5H3,(H,20,26)
• InChIKey: AVJDROMXBUECEI-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.45
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 19270593) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CCn1ncc(C(C)NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c1C.

What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?

The InChIKey is AVJDROMXBUECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-6-24-15(5)16(10-19-24)14(4)20-18(26)17-7-8-23(22-17)11-25-13(3)9-12(2)21-25/h7-10,14H,6,11H2,1-5H3,(H,20,26).

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

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19270593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).