N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide

C20H18F3N3O2 — CID 90615544

About N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 90615544) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
• PubChem CID: 90615544
• Molecular Formula: C20H18F3N3O2
• Molecular Weight: 389.38 g/mol
• Exact Mass: 389.14
• IUPAC Name: N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
• SMILES: O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccc2ccccc12
• InChI: InChI=1S/C20H18F3N3O2/c21-20(22,23)18-16-12-28-11-8-17(16)26(25-18)10-9-24-19(27)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2,(H,24,27)
• InChIKey: DXFCJNDGGGSWEG-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.38
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide (CID 90615544) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccc2ccccc12.

What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide?

The InChIKey is DXFCJNDGGGSWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)18-16-12-28-11-8-17(16)26(25-18)10-9-24-19(27)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2,(H,24,27).

What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide?

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90615544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).