N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C19H19N3O3 — CID 70739570

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70739570) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
• PubChem CID: 70739570
• Molecular Formula: C19H19N3O3
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.14
• IUPAC Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NC[C@H]3CCc4ccccc4O3)n[nH]2)o1
• InChI: InChI=1S/C19H19N3O3/c1-12-6-9-18(24-12)15-10-16(22-21-15)19(23)20-11-14-8-7-13-4-2-3-5-17(13)25-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1
• InChIKey: KGZSZCQPDUAYOE-CQSZACIVSA-N
• XLogP: 3.10
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 70739570) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC[C@H]3CCc4ccccc4O3)n[nH]2)o1.

What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?

The InChIKey is KGZSZCQPDUAYOE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-6-9-18(24-12)15-10-16(22-21-15)19(23)20-11-14-8-7-13-4-2-3-5-17(13)25-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1.

What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70739570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).