(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate

C11H11N3O3 — CID 117213662

IUPAC(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
SMILESCOc1cccc(OC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-2-4-8(5-7)17-11(15)9-6-13-14-10(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyWGXRAQYCBAWDDR-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.22
Rot. Bonds3

About (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate

(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate (PubChem CID 117213662) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
PubChem CID117213662
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
SMILESCOc1cccc(OC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-2-4-8(5-7)17-11(15)9-6-13-14-10(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyWGXRAQYCBAWDDR-UHFFFAOYSA-N
XLogP1.22
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
(3-methoxyphenyl) 2-amino-1-propan-2-ylpyrrole-3-carboxylate
CID 117213848
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
phosphanyl 5-amino-1H-pyrazole-4-carboxylate
CID 90304947
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
diphenyl 4-methoxybenzene-1,2-dicarboxylate
CID 21306237
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 102884080
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate?
The IUPAC name of (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate (CID 117213662) is (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate.
What is the SMILES notation for (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate?
The canonical SMILES for (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate is COc1cccc(OC(=O)c2cn[nH]c2N)c1.
What is the InChIKey of (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate?
The InChIKey is WGXRAQYCBAWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-7-3-2-4-8(5-7)17-11(15)9-6-13-14-10(9)12/h2-6H,1H3,(H3,12,13,14).
What are the key properties of (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate?
(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 117213662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).