5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

C18H18N4O3 — CID 58970542

IUPAC5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C18H18N4O3/c1-21(2)13-6-4-5-12(9-13)16-10-15(18(23)24)20-22(16)14-7-8-17(25-3)19-11-14/h4-11H,1-3H3,(H,23,24)
InChIKeyPJSHCYQSRBADKJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.71
Rot. Bonds5

About 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 58970542) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID58970542
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C18H18N4O3/c1-21(2)13-6-4-5-12(9-13)16-10-15(18(23)24)20-22(16)14-7-8-17(25-3)19-11-14/h4-11H,1-3H3,(H,23,24)
InChIKeyPJSHCYQSRBADKJ-UHFFFAOYSA-N
XLogP2.71
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 23090235
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 173083048
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 23090254
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 23143613
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
N-ethyl-5-(5-hydroxy-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 135697947
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (CID 58970542) is 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2cccc(N(C)C)c2)cn1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is PJSHCYQSRBADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-21(2)13-6-4-5-12(9-13)16-10-15(18(23)24)20-22(16)14-7-8-17(25-3)19-11-14/h4-11H,1-3H3,(H,23,24).
What are the key properties of 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 58970542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).