amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate

C11H12N4O2 — CID 144691403

IUPACamino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCc1cc(C)nc(-c2cn[nH]c2C(=O)ON)c1
InChIInChI=1S/C11H12N4O2/c1-6-3-7(2)14-9(4-6)8-5-13-15-10(8)11(16)17-12/h3-5H,12H2,1-2H3,(H,13,15)
InChIKeyNONOZBSZVHIPCL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.12
Rot. Bonds2

About amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate

amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 144691403) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameamino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID144691403
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameamino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCc1cc(C)nc(-c2cn[nH]c2C(=O)ON)c1
InChIInChI=1S/C11H12N4O2/c1-6-3-7(2)14-9(4-6)8-5-13-15-10(8)11(16)17-12/h3-5H,12H2,1-2H3,(H,13,15)
InChIKeyNONOZBSZVHIPCL-UHFFFAOYSA-N
XLogP1.12
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 144691500
4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 144691311
methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 144691282
ethyl 4-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 44515223
methyl 4-(3-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylate
CID 138493445
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate
CID 144691470
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid
CID 171914668
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451

Frequently Asked Questions

What is the IUPAC name of amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate (CID 144691403) is amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate is Cc1cc(C)nc(-c2cn[nH]c2C(=O)ON)c1.
What is the InChIKey of amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is NONOZBSZVHIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-3-7(2)14-9(4-6)8-5-13-15-10(8)11(16)17-12/h3-5H,12H2,1-2H3,(H,13,15).
What are the key properties of amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate?
amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 144691403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).