1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H8Cl2N2O2S — CID 43324453

IUPAC1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20)
InChIKeyGEBYPYCQRZIIRI-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.61
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 43324453) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID43324453
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20)
InChIKeyGEBYPYCQRZIIRI-UHFFFAOYSA-N
XLogP4.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83216351
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43324452
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
CID 43324362
3-(4-bromothiophen-2-yl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354900
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 43324453) is 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is GEBYPYCQRZIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-8-3-4-11(10(16)6-8)18-7-9(14(19)20)13(17-18)12-2-1-5-21-12/h1-7H,(H,19,20).
What are the key properties of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 339.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).