N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine

C14H19N3O — CID 19618925

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cn(C)nc2C)c1
InChIInChI=1S/C14H19N3O/c1-11-13(10-17(2)16-11)9-15-8-12-5-4-6-14(7-12)18-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGFQYIGOEMZQTGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.03
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 19618925) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID19618925
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cn(C)nc2C)c1
InChIInChI=1S/C14H19N3O/c1-11-13(10-17(2)16-11)9-15-8-12-5-4-6-14(7-12)18-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyGFQYIGOEMZQTGQ-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668473
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565
1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62473866
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
CID 103851784
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine (CID 19618925) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2cn(C)nc2C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is GFQYIGOEMZQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-13(10-17(2)16-11)9-15-8-12-5-4-6-14(7-12)18-3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 19618925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).