5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid

C15H9Cl3N4O2 — CID 56950743

IUPAC5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O2/c16-8-5-9(17)13(10(18)6-8)22-14(19)11(15(23)24)12(21-22)7-1-3-20-4-2-7/h1-6H,19H2,(H,23,24)
InChIKeyZZRPBQTWUXGZKR-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.17
Rot. Bonds3

About 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid

5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid (PubChem CID 56950743) has the molecular formula C15H9Cl3N4O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid
PubChem CID56950743
Molecular FormulaC15H9Cl3N4O2
Molecular Weight383.62 g/mol
Exact Mass381.98
IUPAC Name5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O2/c16-8-5-9(17)13(10(18)6-8)22-14(19)11(15(23)24)12(21-22)7-1-3-20-4-2-7/h1-6H,19H2,(H,23,24)
InChIKeyZZRPBQTWUXGZKR-UHFFFAOYSA-N
XLogP4.17
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid (CID 56950743) is 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is ZZRPBQTWUXGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O2/c16-8-5-9(17)13(10(18)6-8)22-14(19)11(15(23)24)12(21-22)7-1-3-20-4-2-7/h1-6H,19H2,(H,23,24).
What are the key properties of 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid?
5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 383.62 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-pyridin-4-yl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 56950743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).