N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C18H25N3O3 — CID 154578923

About N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 154578923) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
• PubChem CID: 154578923
• Molecular Formula: C18H25N3O3
• Molecular Weight: 331.42 g/mol
• Exact Mass: 331.19
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
• SMILES: Cc1ccc(CNC(=O)CCc2nn(C(C)C)c3c2COCC3)o1
• InChI: InChI=1S/C18H25N3O3/c1-12(2)21-17-8-9-23-11-15(17)16(20-21)6-7-18(22)19-10-14-5-4-13(3)24-14/h4-5,12H,6-11H2,1-3H3,(H,19,22)
• InChIKey: OLZXUAMIFYFAJQ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.42
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 154578923) is N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is Cc1ccc(CNC(=O)CCc2nn(C(C)C)c3c2COCC3)o1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

The InChIKey is OLZXUAMIFYFAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)21-17-8-9-23-11-15(17)16(20-21)6-7-18(22)19-10-14-5-4-13(3)24-14/h4-5,12H,6-11H2,1-3H3,(H,19,22).

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?

N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 154578923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).