N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C18H21N5O2 — CID 78879463

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78879463) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 78879463
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCCc3occc32)[nH]n1
• InChI: InChI=1S/C18H21N5O2/c1-10-17(11(2)23(3)22-10)14-9-15(21-20-14)18(24)19-13-5-4-6-16-12(13)7-8-25-16/h7-9,13H,4-6H2,1-3H3,(H,19,24)(H,20,21)
• InChIKey: AWVXLTXOXSDVJH-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 88.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78879463) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCCc3occc32)[nH]n1.

What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is AWVXLTXOXSDVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10-17(11(2)23(3)22-10)14-9-15(21-20-14)18(24)19-13-5-4-6-16-12(13)7-8-25-16/h7-9,13H,4-6H2,1-3H3,(H,19,24)(H,20,21).

What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78879463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).