methyl 2-(4-aminopyrazol-1-yl)benzoate

C11H11N3O2 — CID 131512401

IUPACmethyl 2-(4-aminopyrazol-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1cc(N)cn1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-4-2-3-5-10(9)14-7-8(12)6-13-14/h2-7H,12H2,1H3
InChIKeyDKFZXNMPKOUVNG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(4-aminopyrazol-1-yl)benzoate

methyl 2-(4-aminopyrazol-1-yl)benzoate (PubChem CID 131512401) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 2-(4-aminopyrazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-aminopyrazol-1-yl)benzoate
PubChem CID131512401
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 2-(4-aminopyrazol-1-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1cc(N)cn1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)9-4-2-3-5-10(9)14-7-8(12)6-13-14/h2-7H,12H2,1H3
InChIKeyDKFZXNMPKOUVNG-UHFFFAOYSA-N
XLogP1.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-aminopyrazol-1-yl)benzoate 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

1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
1-(2-methoxycarbonylphenyl)pyrazole-3,4-dicarboxylic acid
CID 84818283
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
methyl 3-amino-2-[4-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 115935524
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-(4-nitrotriazol-2-yl)benzoate
CID 175107569

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminopyrazol-1-yl)benzoate?
The IUPAC name of methyl 2-(4-aminopyrazol-1-yl)benzoate (CID 131512401) is methyl 2-(4-aminopyrazol-1-yl)benzoate.
What is the SMILES notation for methyl 2-(4-aminopyrazol-1-yl)benzoate?
The canonical SMILES for methyl 2-(4-aminopyrazol-1-yl)benzoate is COC(=O)c1ccccc1-n1cc(N)cn1.
What is the InChIKey of methyl 2-(4-aminopyrazol-1-yl)benzoate?
The InChIKey is DKFZXNMPKOUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)9-4-2-3-5-10(9)14-7-8(12)6-13-14/h2-7H,12H2,1H3.
What are the key properties of methyl 2-(4-aminopyrazol-1-yl)benzoate?
methyl 2-(4-aminopyrazol-1-yl)benzoate has a molecular weight of 217.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminopyrazol-1-yl)benzoate is sourced from PubChem (CID 131512401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).