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

C18H20F3N3O2 — CID 1129712

IUPACN-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O2/c1-26-13-8-6-12(7-9-13)10-22-16(25)11-24-15-5-3-2-4-14(15)17(23-24)18(19,20)21/h6-9H,2-5,10-11H2,1H3,(H,22,25)
InChIKeyKNWKKERPDNWFEJ-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.11
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129712) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129712
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O2/c1-26-13-8-6-12(7-9-13)10-22-16(25)11-24-15-5-3-2-4-14(15)17(23-24)18(19,20)21/h6-9H,2-5,10-11H2,1H3,(H,22,25)
InChIKeyKNWKKERPDNWFEJ-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129712) is N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is KNWKKERPDNWFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-26-13-8-6-12(7-9-13)10-22-16(25)11-24-15-5-3-2-4-14(15)17(23-24)18(19,20)21/h6-9H,2-5,10-11H2,1H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).