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

C16H23F3N4O2 — CID 90615777

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

1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea (PubChem CID 90615777) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea
• PubChem CID: 90615777
• Molecular Formula: C16H23F3N4O2
• Molecular Weight: 360.38 g/mol
• Exact Mass: 360.18
• IUPAC Name: 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea
• SMILES: O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)NC1CCCCC1
• InChI: InChI=1S/C16H23F3N4O2/c17-16(18,19)14-12-10-25-9-6-13(12)23(22-14)8-7-20-15(24)21-11-4-2-1-3-5-11/h11H,1-10H2,(H2,20,21,24)
• InChIKey: WZMVXSLZSORFDO-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 68.18 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	360.38
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea (CID 90615777) is 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea.

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

The canonical SMILES for 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)NC1CCCCC1.

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

The InChIKey is WZMVXSLZSORFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)14-12-10-25-9-6-13(12)23(22-14)8-7-20-15(24)21-11-4-2-1-3-5-11/h11H,1-10H2,(H2,20,21,24).

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

1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea has a molecular weight of 360.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 90615777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).