N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H9ClN4O — CID 46882704

IUPACN-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C13H9ClN4O/c14-10-3-1-2-4-11(10)17-13(19)9-7-16-18-6-5-15-8-12(9)18/h1-8H,(H,17,19)
InChIKeyRDDQTDGRUCZTOW-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.63
Rot. Bonds2

About N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 46882704) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID46882704
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C13H9ClN4O/c14-10-3-1-2-4-11(10)17-13(19)9-7-16-18-6-5-15-8-12(9)18/h1-8H,(H,17,19)
InChIKeyRDDQTDGRUCZTOW-UHFFFAOYSA-N
XLogP2.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 46882704) is N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cnn2ccncc12.
What is the InChIKey of N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RDDQTDGRUCZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-3-1-2-4-11(10)17-13(19)9-7-16-18-6-5-15-8-12(9)18/h1-8H,(H,17,19).
What are the key properties of N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46882704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).