methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate

C14H17N3O4 — CID 117470471

IUPACmethyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H17N3O4/c1-17-12(15)7-10(16-17)9-5-8(14(18)21-4)6-11(19-2)13(9)20-3/h5-7H,15H2,1-4H3
InChIKeyLFZBMOSKKIYXNM-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate

methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate (PubChem CID 117470471) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
PubChem CID117470471
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H17N3O4/c1-17-12(15)7-10(16-17)9-5-8(14(18)21-4)6-11(19-2)13(9)20-3/h5-7H,15H2,1-4H3
InChIKeyLFZBMOSKKIYXNM-UHFFFAOYSA-N
XLogP1.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
methyl 3-amino-5-bromo-4-methoxybenzoate;methyl 3-amino-4-methoxy-5-(2-methyltriazol-4-yl)benzoate
CID 167591522
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444295
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate (CID 117470471) is methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate?
The InChIKey is LFZBMOSKKIYXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-12(15)7-10(16-17)9-5-8(14(18)21-4)6-11(19-2)13(9)20-3/h5-7H,15H2,1-4H3.
What are the key properties of methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate?
methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate has a molecular weight of 291.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate is sourced from PubChem (CID 117470471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).