N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C18H28N6O2 — CID 78880597

About N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880597) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 78880597
• Molecular Formula: C18H28N6O2
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.23
• IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(C)(C)N2CCOCC2)[nH]n1
• InChI: InChI=1S/C18H28N6O2/c1-12-16(13(2)23(5)22-12)14-10-15(21-20-14)17(25)19-11-18(3,4)24-6-8-26-9-7-24/h10H,6-9,11H2,1-5H3,(H,19,25)(H,20,21)
• InChIKey: ZSPSDSTYZZKZFR-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880597) is N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(C)(C)N2CCOCC2)[nH]n1.

What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is ZSPSDSTYZZKZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-12-16(13(2)23(5)22-12)14-10-15(21-20-14)17(25)19-11-18(3,4)24-6-8-26-9-7-24/h10H,6-9,11H2,1-5H3,(H,19,25)(H,20,21).

What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).