(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C14H19N3O2 — CID 114659334

IUPAC(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2c(OC)cnn2C)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-7-10(5-6-11(9)18-3)13(15)14-12(19-4)8-16-17(14)2/h5-8,13H,15H2,1-4H3
InChIKeyHCFILZJCGWXWMG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds4

About (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 114659334) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID114659334
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2c(OC)cnn2C)cc1C
InChIInChI=1S/C14H19N3O2/c1-9-7-10(5-6-11(9)18-3)13(15)14-12(19-4)8-16-17(14)2/h5-8,13H,15H2,1-4H3
InChIKeyHCFILZJCGWXWMG-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105186353
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659333
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659332
(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
CID 114648978
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 114659334) is (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1ccc(C(N)c2c(OC)cnn2C)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is HCFILZJCGWXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-10(5-6-11(9)18-3)13(15)14-12(19-4)8-16-17(14)2/h5-8,13H,15H2,1-4H3.
What are the key properties of (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114659334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).