[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine

C13H17N3O3 — CID 96666406

IUPAC[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1cc(OC)c(-c2cc(CN)[nH]n2)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-17-9-5-11(18-2)13(12(6-9)19-3)10-4-8(7-14)15-16-10/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyMFNQXLFVSJGORC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.56
Rot. Bonds5

About [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine

[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 96666406) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID96666406
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1cc(OC)c(-c2cc(CN)[nH]n2)c(OC)c1
InChIInChI=1S/C13H17N3O3/c1-17-9-5-11(18-2)13(12(6-9)19-3)10-4-8(7-14)15-16-10/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyMFNQXLFVSJGORC-UHFFFAOYSA-N
XLogP1.56
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82474207
[3-(4-methoxy-2,6-dimethylphenyl)-1H-pyrazol-5-yl]methanol
CID 82049055
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 96669283
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
(5,7-dimethoxy-1H-indol-2-yl)methanol
CID 84817994
[3-(furan-2-yl)-1H-pyrazol-5-yl]methanamine;hydrochloride
CID 166403130
4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one
CID 82467469
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015

Frequently Asked Questions

What is the IUPAC name of [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine (CID 96666406) is [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine is COc1cc(OC)c(-c2cc(CN)[nH]n2)c(OC)c1.
What is the InChIKey of [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is MFNQXLFVSJGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-9-5-11(18-2)13(12(6-9)19-3)10-4-8(7-14)15-16-10/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine?
[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 96666406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).