1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H9ClN2O2S — CID 43324242

IUPAC1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19)
InChIKeyMDGBBPUSJLXHDV-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.95
Rot. Bonds3

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

1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 43324242) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID43324242
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19)
InChIKeyMDGBBPUSJLXHDV-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 43324242) is 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2)nc1-c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is MDGBBPUSJLXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)17-8-11(14(18)19)13(16-17)12-2-1-7-20-12/h1-8H,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 304.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).