6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid

C24H21ClN4O2 — CID 91239099

IUPAC6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid
SMILESCCc1c(-c2cncc(Cl)c2)c(-c2ccc(C(=O)O)c(-c3ccccc3)n2)nn1CC
InChIInChI=1S/C24H21ClN4O2/c1-3-20-21(16-12-17(25)14-26-13-16)23(28-29(20)4-2)19-11-10-18(24(30)31)22(27-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,31)
InChIKeySFYARHYCXZVVPD-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.61
Rot. Bonds6

About 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid

6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid (PubChem CID 91239099) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid
PubChem CID91239099
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid
SMILESCCc1c(-c2cncc(Cl)c2)c(-c2ccc(C(=O)O)c(-c3ccccc3)n2)nn1CC
InChIInChI=1S/C24H21ClN4O2/c1-3-20-21(16-12-17(25)14-26-13-16)23(28-29(20)4-2)19-11-10-18(24(30)31)22(27-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,31)
InChIKeySFYARHYCXZVVPD-UHFFFAOYSA-N
XLogP5.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid with MolForge

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Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
6-[[6-Chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123463167
6-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123578350
6-[[6-Chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184171
6-[(6-Acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704843
6-[(6-Chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123616733
3-chloro-1-(2,6-dichlorobenzyl)-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152280

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid (CID 91239099) is 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid is CCc1c(-c2cncc(Cl)c2)c(-c2ccc(C(=O)O)c(-c3ccccc3)n2)nn1CC.
What is the InChIKey of 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid?
The InChIKey is SFYARHYCXZVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-3-20-21(16-12-17(25)14-26-13-16)23(28-29(20)4-2)19-11-10-18(24(30)31)22(27-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,30,31).
What are the key properties of 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid?
6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid has a molecular weight of 432.91 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-3-pyridinyl)-1,5-diethylpyrazol-3-yl]-2-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 91239099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).