4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

C11H11N3O3 — CID 90383112

IUPAC4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9/h3-6H,1-2H3,(H,15,16)
InChIKeyHQBISKLZGSQCAE-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383112) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383112
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9/h3-6H,1-2H3,(H,15,16)
InChIKeyHQBISKLZGSQCAE-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
6-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704834
1-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 137658360
3-Tert-butyl-1-[(6-phenoxy-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162643329
1-Benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 15991008
1-Cyclohexyl-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 118735614
Methyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 13478392
6-[[6-Chloro-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184170
methyl 1-methyl-3-(pyridin-4-yl)-1H-pyrazole-5-carboxylate
CID 82634158
US11365192, Example 71-29
CID 156323923
5-Methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 13478393
5-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 26365928

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (CID 90383112) is 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is COc1ccnc(-c2cnn(C)c2C(=O)O)c1.
What is the InChIKey of 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is HQBISKLZGSQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9/h3-6H,1-2H3,(H,15,16).
What are the key properties of 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).