[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C18H12FN5O2S — CID 19292024

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESN/C(=N\OC(=O)c1cnn2c(-c3cccs3)ccnc12)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2S/c19-12-5-3-11(4-6-12)16(20)23-26-18(25)13-10-22-24-14(7-8-21-17(13)24)15-2-1-9-27-15/h1-10H,(H2,20,23)
InChIKeySQZHKYCXSLHDRL-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.07
Rot. Bonds4

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 19292024) has the molecular formula C18H12FN5O2S and a molecular weight of 381.39 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID19292024
Molecular FormulaC18H12FN5O2S
Molecular Weight381.39 g/mol
Exact Mass381.07
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESN/C(=N\OC(=O)c1cnn2c(-c3cccs3)ccnc12)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2S/c19-12-5-3-11(4-6-12)16(20)23-26-18(25)13-10-22-24-14(7-8-21-17(13)24)15-2-1-9-27-15/h1-10H,(H2,20,23)
InChIKeySQZHKYCXSLHDRL-UHFFFAOYSA-N
XLogP3.07
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate 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 [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 19292024) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is N/C(=N\OC(=O)c1cnn2c(-c3cccs3)ccnc12)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SQZHKYCXSLHDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2S/c19-12-5-3-11(4-6-12)16(20)23-26-18(25)13-10-22-24-14(7-8-21-17(13)24)15-2-1-9-27-15/h1-10H,(H2,20,23).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 19292024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).