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

C19H22F3N3O2 — CID 58267658

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C19H22F3N3O2/c1-27-12-14-6-4-5-13(9-14)10-23-17(26)11-25-16-8-3-2-7-15(16)18(24-25)19(20,21)22/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,23,26)
InChIKeyBSRSPONUCATBRO-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.24
Rot. Bonds6

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

N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267658) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267658
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C19H22F3N3O2/c1-27-12-14-6-4-5-13(9-14)10-23-17(26)11-25-16-8-3-2-7-15(16)18(24-25)19(20,21)22/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,23,26)
InChIKeyBSRSPONUCATBRO-UHFFFAOYSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267658) is N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COCc1cccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is BSRSPONUCATBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-27-12-14-6-4-5-13(9-14)10-23-17(26)11-25-16-8-3-2-7-15(16)18(24-25)19(20,21)22/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,23,26).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).