N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H16F3N3O2 — CID 122244813

IUPACN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)16-3-1-2-13(8-16)9-17(25)22-5-6-24-11-15(10-23-24)14-4-7-26-12-14/h1-4,7-8,10-12H,5-6,9H2,(H,22,25)
InChIKeyUFDRLIFQQWKTFU-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122244813) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID122244813
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)16-3-1-2-13(8-16)9-17(25)22-5-6-24-11-15(10-23-24)14-4-7-26-12-14/h1-4,7-8,10-12H,5-6,9H2,(H,22,25)
InChIKeyUFDRLIFQQWKTFU-UHFFFAOYSA-N
XLogP3.52
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
CID 122244856
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122244881
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
CID 157097991
CID 157097991
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244847
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798902
3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 35322160

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122244813) is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccoc2)cn1.
What is the InChIKey of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UFDRLIFQQWKTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)16-3-1-2-13(8-16)9-17(25)22-5-6-24-11-15(10-23-24)14-4-7-26-12-14/h1-4,7-8,10-12H,5-6,9H2,(H,22,25).
What are the key properties of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122244813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).