N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C18H25N3O — CID 46990146

IUPACN-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C18H25N3O/c1-5-11-21-14-17(15(3)19-21)13-20(6-2)12-16-7-9-18(22-4)10-8-16/h5,7-10,14H,1,6,11-13H2,2-4H3
InChIKeyJDHGZSAZKORBEI-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.41
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46990146) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46990146
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C18H25N3O/c1-5-11-21-14-17(15(3)19-21)13-20(6-2)12-16-7-9-18(22-4)10-8-16/h5,7-10,14H,1,6,11-13H2,2-4H3
InChIKeyJDHGZSAZKORBEI-UHFFFAOYSA-N
XLogP3.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
3-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 6882781
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46990146) is N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(CC)Cc2ccc(OC)cc2)c(C)n1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is JDHGZSAZKORBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-11-21-14-17(15(3)19-21)13-20(6-2)12-16-7-9-18(22-4)10-8-16/h5,7-10,14H,1,6,11-13H2,2-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46990146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).