[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine

C13H17N3O2 — CID 54850918

IUPAC[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccccc1OCc1n[nH]c(C)c1CN
InChIInChI=1S/C13H17N3O2/c1-9-10(7-14)11(16-15-9)8-18-13-6-4-3-5-12(13)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySGSJUERDSVJEHK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.76
Rot. Bonds5

About [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine

[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine (PubChem CID 54850918) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
PubChem CID54850918
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccccc1OCc1n[nH]c(C)c1CN
InChIInChI=1S/C13H17N3O2/c1-9-10(7-14)11(16-15-9)8-18-13-6-4-3-5-12(13)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeySGSJUERDSVJEHK-UHFFFAOYSA-N
XLogP1.76
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3,4-dimethylphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850784
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620
(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
CID 117109608
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207915
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
5-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-amine
CID 117214469
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine (CID 54850918) is [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine is COc1ccccc1OCc1n[nH]c(C)c1CN.
What is the InChIKey of [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is SGSJUERDSVJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-10(7-14)11(16-15-9)8-18-13-6-4-3-5-12(13)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine?
[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 54850918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).