N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide

C15H14N4O — CID 86793780

IUPACN-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2ncccc12
InChIInChI=1S/C15H14N4O/c20-15(16-10-8-12-5-2-1-3-6-12)13-11-18-19-14(13)7-4-9-17-19/h1-7,9,11H,8,10H2,(H,16,20)
InChIKeyJPWPGSWTVXBUCZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds4

About N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide

N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 86793780) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID86793780
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2ncccc12
InChIInChI=1S/C15H14N4O/c20-15(16-10-8-12-5-2-1-3-6-12)13-11-18-19-14(13)7-4-9-17-19/h1-7,9,11H,8,10H2,(H,16,20)
InChIKeyJPWPGSWTVXBUCZ-UHFFFAOYSA-N
XLogP1.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 86793780) is N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1cnn2ncccc12.
What is the InChIKey of N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is JPWPGSWTVXBUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(16-10-8-12-5-2-1-3-6-12)13-11-18-19-14(13)7-4-9-17-19/h1-7,9,11H,8,10H2,(H,16,20).
What are the key properties of N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide?
N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 86793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).