4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C14H19N3O3 — CID 117444289

IUPAC4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(OC)cc(-c2cnn(C)c2N)cc1OC
InChIInChI=1S/C14H19N3O3/c1-17-14(15)10(7-16-17)9-5-12(19-3)11(8-18-2)13(6-9)20-4/h5-7H,8,15H2,1-4H3
InChIKeyUMKPJZCJODTVDE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.83
Rot. Bonds5

About 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117444289) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117444289
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(OC)cc(-c2cnn(C)c2N)cc1OC
InChIInChI=1S/C14H19N3O3/c1-17-14(15)10(7-16-17)9-5-12(19-3)11(8-18-2)13(6-9)20-4/h5-7H,8,15H2,1-4H3
InChIKeyUMKPJZCJODTVDE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
5-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzonitrile
CID 117399239
4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 117359622
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117444289) is 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1c(OC)cc(-c2cnn(C)c2N)cc1OC.
What is the InChIKey of 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is UMKPJZCJODTVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-14(15)10(7-16-17)9-5-12(19-3)11(8-18-2)13(6-9)20-4/h5-7H,8,15H2,1-4H3.
What are the key properties of 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 277.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117444289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).