N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine

C18H27N3O — CID 141366779

IUPACN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H27N3O/c1-18(2,3)17-10-11-21(19-17)16-8-6-15(7-9-16)14-20(4)12-13-22-5/h6-11H,12-14H2,1-5H3
InChIKeyWOYGDRQOYPCFRF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.25
Rot. Bonds6

About N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine

N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 141366779) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
PubChem CID141366779
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H27N3O/c1-18(2,3)17-10-11-21(19-17)16-8-6-15(7-9-16)14-20(4)12-13-22-5/h6-11H,12-14H2,1-5H3
InChIKeyWOYGDRQOYPCFRF-UHFFFAOYSA-N
XLogP3.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
CID 141366767
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546575
1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
CID 141134716
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
4-[[2-methoxyethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61427647
2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine
CID 171388144
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine (CID 141366779) is N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1.
What is the InChIKey of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is WOYGDRQOYPCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-18(2,3)17-10-11-21(19-17)16-8-6-15(7-9-16)14-20(4)12-13-22-5/h6-11H,12-14H2,1-5H3.
What are the key properties of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine?
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 301.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 141366779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).