1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide

C19H19N5O2 — CID 42376585

About 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 42376585) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
• PubChem CID: 42376585
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC[C@H]2Cc3cccc(-c4cnccn4)c3O2)nn1C
• InChI: InChI=1S/C19H19N5O2/c1-12-8-16(23-24(12)2)19(25)22-10-14-9-13-4-3-5-15(18(13)26-14)17-11-20-6-7-21-17/h3-8,11,14H,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1
• InChIKey: PHGUAWJVIUZFBP-CQSZACIVSA-N
• XLogP: 1.92
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide?

The IUPAC name of 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide (CID 42376585) is 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide?

The canonical SMILES for 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC[C@H]2Cc3cccc(-c4cnccn4)c3O2)nn1C.

What is the InChIKey of 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide?

The InChIKey is PHGUAWJVIUZFBP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-8-16(23-24(12)2)19(25)22-10-14-9-13-4-3-5-15(18(13)26-14)17-11-20-6-7-21-17/h3-8,11,14H,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1.

What are the key properties of 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide?

1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42376585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).