1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid

C19H19N3O2 — CID 3795407

IUPAC1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2cccnc2)nn1-c1cccc(C)c1
InChIInChI=1S/C19H19N3O2/c1-3-6-16-17(19(23)24)18(14-8-5-10-20-12-14)21-22(16)15-9-4-7-13(2)11-15/h4-5,7-12H,3,6H2,1-2H3,(H,23,24)
InChIKeyDKWVLZGRCHLDLX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid

1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid (PubChem CID 3795407) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
PubChem CID3795407
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2cccnc2)nn1-c1cccc(C)c1
InChIInChI=1S/C19H19N3O2/c1-3-6-16-17(19(23)24)18(14-8-5-10-20-12-14)21-22(16)15-9-4-7-13(2)11-15/h4-5,7-12H,3,6H2,1-2H3,(H,23,24)
InChIKeyDKWVLZGRCHLDLX-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
1-(3-chlorophenyl)-3-(3,4-dihydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3768731
3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2414316
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3798978
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556
1-(3-chlorophenyl)-3-methyl-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82072886
1-(3-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3875858
1-(3-chlorophenyl)-3-(4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid
CID 101091516
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
1-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3790283
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
CID 94962316

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid (CID 3795407) is 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)c(-c2cccnc2)nn1-c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is DKWVLZGRCHLDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-6-16-17(19(23)24)18(14-8-5-10-20-12-14)21-22(16)15-9-4-7-13(2)11-15/h4-5,7-12H,3,6H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid?
1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).