5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

C17H15N3O4 — CID 23090117

IUPAC5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)nn2-c2ccc(OC)nc2)c1
InChIInChI=1S/C17H15N3O4/c1-23-13-5-3-4-11(8-13)15-9-14(17(21)22)19-20(15)12-6-7-16(24-2)18-10-12/h3-10H,1-2H3,(H,21,22)
InChIKeyHMKNVUGCMWCJNB-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.65
Rot. Bonds5

About 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid

5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 23090117) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID23090117
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)nn2-c2ccc(OC)nc2)c1
InChIInChI=1S/C17H15N3O4/c1-23-13-5-3-4-11(8-13)15-9-14(17(21)22)19-20(15)12-6-7-16(24-2)18-10-12/h3-10H,1-2H3,(H,21,22)
InChIKeyHMKNVUGCMWCJNB-UHFFFAOYSA-N
XLogP2.65
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 58970542
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-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360
[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-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 23090254
1-(6-methoxy-3-pyridinyl)-5-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 23143613
methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143466
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid (CID 23090117) is 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is COc1cccc(-c2cc(C(=O)O)nn2-c2ccc(OC)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is HMKNVUGCMWCJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-13-5-3-4-11(8-13)15-9-14(17(21)22)19-20(15)12-6-7-16(24-2)18-10-12/h3-10H,1-2H3,(H,21,22).
What are the key properties of 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid?
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23090117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).