4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid

C18H15ClN4O3 — CID 167906826

IUPAC4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCC(c1ccc(Cl)cc1)n1cccn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H15ClN4O3/c19-14-4-2-12(3-5-14)16(23-9-1-7-22-23)11-21-17(24)13-6-8-20-15(10-13)18(25)26/h1-10,16H,11H2,(H,21,24)(H,25,26)
InChIKeyLOVLFXITBHUZCG-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.65
Rot. Bonds6

About 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid

4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 167906826) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID167906826
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCC(c1ccc(Cl)cc1)n1cccn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H15ClN4O3/c19-14-4-2-12(3-5-14)16(23-9-1-7-22-23)11-21-17(24)13-6-8-20-15(10-13)18(25)26/h1-10,16H,11H2,(H,21,24)(H,25,26)
InChIKeyLOVLFXITBHUZCG-UHFFFAOYSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
1-[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 146129047
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265981
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121019350
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid (CID 167906826) is 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid is O=C(NCC(c1ccc(Cl)cc1)n1cccn1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LOVLFXITBHUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c19-14-4-2-12(3-5-14)16(23-9-1-7-22-23)11-21-17(24)13-6-8-20-15(10-13)18(25)26/h1-10,16H,11H2,(H,21,24)(H,25,26).
What are the key properties of 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 370.80 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-2-pyrazol-1-ylethyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167906826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).