N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H8Cl2N4O — CID 4151654

IUPACN-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C13H8Cl2N4O/c14-8-4-9(15)6-10(5-8)18-13(20)11-7-17-19-3-1-2-16-12(11)19/h1-7H,(H,18,20)
InChIKeyXNXMPFNJHRKXMU-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.29
Rot. Bonds2

About N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4151654) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4151654
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC NameN-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C13H8Cl2N4O/c14-8-4-9(15)6-10(5-8)18-13(20)11-7-17-19-3-1-2-16-12(11)19/h1-7H,(H,18,20)
InChIKeyXNXMPFNJHRKXMU-UHFFFAOYSA-N
XLogP3.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4151654) is N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XNXMPFNJHRKXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-8-4-9(15)6-10(5-8)18-13(20)11-7-17-19-3-1-2-16-12(11)19/h1-7H,(H,18,20).
What are the key properties of N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 307.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).