3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C14H19N3O3 — CID 117444295

IUPAC3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(-c2cc(N)n(C)n2)ccc(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-17-13(15)7-11(16-17)9-5-6-12(19-3)14(20-4)10(9)8-18-2/h5-7H,8,15H2,1-4H3
InChIKeyBODPVXOYDQBXCH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.83
Rot. Bonds5

About 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117444295) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117444295
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(-c2cc(N)n(C)n2)ccc(OC)c1OC
InChIInChI=1S/C14H19N3O3/c1-17-13(15)7-11(16-17)9-5-6-12(19-3)14(20-4)10(9)8-18-2/h5-7H,8,15H2,1-4H3
InChIKeyBODPVXOYDQBXCH-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

3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370804
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117444295) is 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1c(-c2cc(N)n(C)n2)ccc(OC)c1OC.
What is the InChIKey of 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is BODPVXOYDQBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-13(15)7-11(16-17)9-5-6-12(19-3)14(20-4)10(9)8-18-2/h5-7H,8,15H2,1-4H3.
What are the key properties of 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
3-[3,4-dimethoxy-2-(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 3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117444295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).