1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid

C17H15N3O3 — CID 3608503

IUPAC1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2C)cc1
InChIInChI=1S/C17H15N3O3/c1-11-15(17(21)22)16(12-7-9-18-10-8-12)19-20(11)13-3-5-14(23-2)6-4-13/h3-10H,1-2H3,(H,21,22)
InChIKeyFNUOYYRBUFEZEP-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid

1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 3608503) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID3608503
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2C)cc1
InChIInChI=1S/C17H15N3O3/c1-11-15(17(21)22)16(12-7-9-18-10-8-12)19-20(11)13-3-5-14(23-2)6-4-13/h3-10H,1-2H3,(H,21,22)
InChIKeyFNUOYYRBUFEZEP-UHFFFAOYSA-N
XLogP2.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid (CID 3608503) is 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid is COc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is FNUOYYRBUFEZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-15(17(21)22)16(12-7-9-18-10-8-12)19-20(11)13-3-5-14(23-2)6-4-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3608503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).