N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C15H16F3N3O2 — CID 656000

IUPACN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccco1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyIHMFMCJSBYFQAZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.69
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 656000) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID656000
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccco1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyIHMFMCJSBYFQAZ-UHFFFAOYSA-N
XLogP2.69
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 656000) is N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is IHMFMCJSBYFQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 656000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).