methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate

C12H13N3O4 — CID 137004785

IUPACmethyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)n[nH]2)c(O)cc1OC
InChIInChI=1S/C12H13N3O4/c1-18-10-5-9(16)6(3-7(10)12(17)19-2)8-4-11(13)15-14-8/h3-5,16H,1-2H3,(H3,13,14,15)
InChIKeyZMOKFWINVRDOOX-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.16
Rot. Bonds3

About methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate

methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate (PubChem CID 137004785) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate
PubChem CID137004785
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namemethyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2cc(N)n[nH]2)c(O)cc1OC
InChIInChI=1S/C12H13N3O4/c1-18-10-5-9(16)6(3-7(10)12(17)19-2)8-4-11(13)15-14-8/h3-5,16H,1-2H3,(H3,13,14,15)
InChIKeyZMOKFWINVRDOOX-UHFFFAOYSA-N
XLogP1.16
TPSA110.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-amino-1H-pyrazol-5-yl)-2,4-dimethoxybenzoic acid
CID 117412042
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
CID 117443960
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
methyl 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-methylbenzoate
CID 117375479
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
CID 117428591
methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
methyl 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoate
CID 117375287

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate?
The IUPAC name of methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate (CID 137004785) is methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate?
The canonical SMILES for methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate is COC(=O)c1cc(-c2cc(N)n[nH]2)c(O)cc1OC.
What is the InChIKey of methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate?
The InChIKey is ZMOKFWINVRDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-18-10-5-9(16)6(3-7(10)12(17)19-2)8-4-11(13)15-14-8/h3-5,16H,1-2H3,(H3,13,14,15).
What are the key properties of methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate?
methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate has a molecular weight of 263.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate is sourced from PubChem (CID 137004785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).