(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

C14H19N3O3 — CID 103134348

IUPAC(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccn(C)n2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-17-8-7-10(16-17)12(15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12H,15H2,1-4H3
InChIKeyZPVYAZLIDZNZOX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds5

About (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 103134348) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID103134348
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccn(C)n2)c(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-17-8-7-10(16-17)12(15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12H,15H2,1-4H3
InChIKeyZPVYAZLIDZNZOX-UHFFFAOYSA-N
XLogP1.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131205
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43588995
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906
2-(5-bromo-2-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200515
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 106762598
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (CID 103134348) is (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccn(C)n2)c(OC)c1OC.
What is the InChIKey of (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is ZPVYAZLIDZNZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-8-7-10(16-17)12(15)9-5-6-11(18-2)14(20-4)13(9)19-3/h5-8,12H,15H2,1-4H3.
What are the key properties of (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 277.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 103134348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).