N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide

C16H10ClN5OS — CID 155962934

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1ncnc2ccsc12
InChIInChI=1S/C16H10ClN5OS/c17-11-3-1-2-4-13(11)22-8-10(7-20-22)21-16(23)14-15-12(5-6-24-15)18-9-19-14/h1-9H,(H,21,23)
InChIKeyWFOPPBWKIDDIPY-UHFFFAOYSA-N
MW355.81 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155962934) has the molecular formula C16H10ClN5OS and a molecular weight of 355.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID155962934
Molecular FormulaC16H10ClN5OS
Molecular Weight355.81 g/mol
Exact Mass355.03
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1ncnc2ccsc12
InChIInChI=1S/C16H10ClN5OS/c17-11-3-1-2-4-13(11)22-8-10(7-20-22)21-16(23)14-15-12(5-6-24-15)18-9-19-14/h1-9H,(H,21,23)
InChIKeyWFOPPBWKIDDIPY-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide (CID 155962934) is N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide is O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ncnc2ccsc12.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is WFOPPBWKIDDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS/c17-11-3-1-2-4-13(11)22-8-10(7-20-22)21-16(23)14-15-12(5-6-24-15)18-9-19-14/h1-9H,(H,21,23).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155962934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).