1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid

C11H11N3O3 — CID 43144906

IUPAC1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Oc2cccnc2)c1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-7-9(11(15)16)10(14(2)13-7)17-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,15,16)
InChIKeyUCADPYGTXRQUBE-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.61
Rot. Bonds3

About 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid

1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid (PubChem CID 43144906) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid
PubChem CID43144906
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Oc2cccnc2)c1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-7-9(11(15)16)10(14(2)13-7)17-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,15,16)
InChIKeyUCADPYGTXRQUBE-UHFFFAOYSA-N
XLogP1.61
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11028273
CID 11028273
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
CID 107314073
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CID 2774290
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
5-(2-iodophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43479782
1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carboxylic acid
CID 43807116
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-2-methylpyrazole-3-carboxamide
CID 71933936
5-[4-(cyanomethyl)phenoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952454
2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride
CID 119874946
1,3-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazole-4-carboxylic acid
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5-(2-cyanophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952426

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid (CID 43144906) is 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid is Cc1nn(C)c(Oc2cccnc2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid?
The InChIKey is UCADPYGTXRQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-9(11(15)16)10(14(2)13-7)17-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid?
1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid is sourced from PubChem (CID 43144906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).