(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine

C16H22FN3O — CID 99933604

IUPAC(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)[C@H](C)c2c(C)n[nH]c2C)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-10-16(11(2)19-18-10)12(3)20(4)9-13-6-7-14(21-5)8-15(13)17/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyBBDXTTZHALVWRC-GFCCVEGCSA-N
MW291.37 g/mol
LogP3.37
Rot. Bonds5

About (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine

(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 99933604) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID99933604
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccc(CN(C)[C@H](C)c2c(C)n[nH]c2C)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-10-16(11(2)19-18-10)12(3)20(4)9-13-6-7-14(21-5)8-15(13)17/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyBBDXTTZHALVWRC-GFCCVEGCSA-N
XLogP3.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine with MolForge

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Related Compounds

(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2,3,6-trifluorophenyl)methyl]ethanamine
CID 99948566
(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 95120184
(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
CID 59418410
CID 59418410
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 25454592
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 127266824
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine (CID 99933604) is (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine is COc1ccc(CN(C)[C@H](C)c2c(C)n[nH]c2C)c(F)c1.
What is the InChIKey of (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is BBDXTTZHALVWRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-10-16(11(2)19-18-10)12(3)20(4)9-13-6-7-14(21-5)8-15(13)17/h6-8,12H,9H2,1-5H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine?
(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 99933604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).