N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine

C21H23F2N3O — CID 121429631

IUPACN-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine
SMILESCN(CCOC(c1ccccc1F)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C21H23F2N3O/c1-25(15-16-6-5-7-17(22)14-16)12-13-27-21(20-10-11-24-26(20)2)18-8-3-4-9-19(18)23/h3-11,14,21H,12-13,15H2,1-2H3
InChIKeyJGYMPYLIPFHYCC-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.94
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine

N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine (PubChem CID 121429631) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine
PubChem CID121429631
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine
SMILESCN(CCOC(c1ccccc1F)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C21H23F2N3O/c1-25(15-16-6-5-7-17(22)14-16)12-13-27-21(20-10-11-24-26(20)2)18-8-3-4-9-19(18)23/h3-11,14,21H,12-13,15H2,1-2H3
InChIKeyJGYMPYLIPFHYCC-UHFFFAOYSA-N
XLogP3.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cizolirtine
CID 132412
(E)-2-(benzyloxy)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)ethanamine
CID 659658
(2-Benzyloxy-ethyl)-(1,3-dimethyl-1H-pyrazol-4-ylmethylene)-amine
CID 3131814
2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 45488336
3-[[4-(2-Methylpyrazol-3-yl)phenyl]-phenylmethoxy]azetidine-1-carbonitrile
CID 156018646
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylindazole
CID 168296363
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine
CID 25060019
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
4-(4-Tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 56965285
Cizolirtine, (+)-
CID 3037765

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine (CID 121429631) is N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine is CN(CCOC(c1ccccc1F)c1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine?
The InChIKey is JGYMPYLIPFHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-25(15-16-6-5-7-17(22)14-16)12-13-27-21(20-10-11-24-26(20)2)18-8-3-4-9-19(18)23/h3-11,14,21H,12-13,15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine?
N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine has a molecular weight of 371.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-methylethanamine is sourced from PubChem (CID 121429631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).