N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

C14H11ClN4O — CID 134793333

IUPACN-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnn2ncccc12
InChIInChI=1S/C14H11ClN4O/c15-11-5-3-10(4-6-11)8-16-14(20)12-9-18-19-13(12)2-1-7-17-19/h1-7,9H,8H2,(H,16,20)
InChIKeyGAHOXIAPEQMSIF-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.31
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 134793333) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID134793333
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnn2ncccc12
InChIInChI=1S/C14H11ClN4O/c15-11-5-3-10(4-6-11)8-16-14(20)12-9-18-19-13(12)2-1-7-17-19/h1-7,9H,8H2,(H,16,20)
InChIKeyGAHOXIAPEQMSIF-UHFFFAOYSA-N
XLogP2.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 134793333) is N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnn2ncccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is GAHOXIAPEQMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-5-3-10(4-6-11)8-16-14(20)12-9-18-19-13(12)2-1-7-17-19/h1-7,9H,8H2,(H,16,20).
What are the key properties of N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 134793333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).