1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C14H19N3O2 — CID 19625007

IUPAC1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccnn2C)c1OC
InChIInChI=1S/C14H19N3O2/c1-17-12(7-8-16-17)10-15-9-11-5-4-6-13(18-2)14(11)19-3/h4-8,15H,9-10H2,1-3H3
InChIKeyQVOOUUZYZDSMAN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.73
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19625007) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19625007
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccnn2C)c1OC
InChIInChI=1S/C14H19N3O2/c1-17-12(7-8-16-17)10-15-9-11-5-4-6-13(18-2)14(11)19-3/h4-8,15H,9-10H2,1-3H3
InChIKeyQVOOUUZYZDSMAN-UHFFFAOYSA-N
XLogP1.73
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
CID 105471285
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182988
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 19625007) is 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is COc1cccc(CNCc2ccnn2C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is QVOOUUZYZDSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-12(7-8-16-17)10-15-9-11-5-4-6-13(18-2)14(11)19-3/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19625007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).