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

C15H21N3O2 — CID 19623107

IUPAC1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cnn(C)c2C)c1OC
InChIInChI=1S/C15H21N3O2/c1-11-13(10-17-18(11)2)9-16-8-12-6-5-7-14(19-3)15(12)20-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeyFNHMHMLAAZKQDS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds6

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

1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 19623107) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID19623107
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cnn(C)c2C)c1OC
InChIInChI=1S/C15H21N3O2/c1-11-13(10-17-18(11)2)9-16-8-12-6-5-7-14(19-3)15(12)20-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeyFNHMHMLAAZKQDS-UHFFFAOYSA-N
XLogP2.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625828
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 19623107) is 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is COc1cccc(CNCc2cnn(C)c2C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is FNHMHMLAAZKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-13(10-17-18(11)2)9-16-8-12-6-5-7-14(19-3)15(12)20-4/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.04, 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-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 19623107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).