7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H12F2N4O3S — CID 59461581

IUPAC7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)NCc2ccc(F)c(F)c2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C19H12F2N4O3S/c20-11-4-3-10(6-12(11)21)9-22-18(26)15-7-14(19(27)28)23-17-8-13(24-25(15)17)16-2-1-5-29-16/h1-8H,9H2,(H,22,26)(H,27,28)
InChIKeyLFLWJNKQKSPMTP-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.36
Rot. Bonds5

About 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 59461581) has the molecular formula C19H12F2N4O3S and a molecular weight of 414.39 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID59461581
Molecular FormulaC19H12F2N4O3S
Molecular Weight414.39 g/mol
Exact Mass414.06
IUPAC Name7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)NCc2ccc(F)c(F)c2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C19H12F2N4O3S/c20-11-4-3-10(6-12(11)21)9-22-18(26)15-7-14(19(27)28)23-17-8-13(24-25(15)17)16-2-1-5-29-16/h1-8H,9H2,(H,22,26)(H,27,28)
InChIKeyLFLWJNKQKSPMTP-UHFFFAOYSA-N
XLogP3.36
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 59461581) is 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C(=O)NCc2ccc(F)c(F)c2)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is LFLWJNKQKSPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3S/c20-11-4-3-10(6-12(11)21)9-22-18(26)15-7-14(19(27)28)23-17-8-13(24-25(15)17)16-2-1-5-29-16/h1-8H,9H2,(H,22,26)(H,27,28).
What are the key properties of 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 414.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 59461581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).