1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C16H23N3O2 — CID 60962263

IUPAC1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)10-17-9-13-6-7-14(20-4)8-16(13)21-5/h6-8,17H,9-10H2,1-5H3
InChIKeyZJNSAGBJOMWENI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 60962263) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID60962263
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)10-17-9-13-6-7-14(20-4)8-16(13)21-5/h6-8,17H,9-10H2,1-5H3
InChIKeyZJNSAGBJOMWENI-UHFFFAOYSA-N
XLogP2.34
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine
CID 163824053
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 86931343
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
1-(2-prop-2-enoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78989678
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 60962263) is 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is COc1ccc(CNCc2c(C)nn(C)c2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZJNSAGBJOMWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-15(12(2)19(3)18-11)10-17-9-13-6-7-14(20-4)8-16(13)21-5/h6-8,17H,9-10H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60962263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).