5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide

C15H13ClN6O — CID 71973119

IUPAC5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cn2)nn1
InChIInChI=1S/C15H13ClN6O/c1-9-3-6-13(20-19-9)22-14(7-10(2)21-22)18-15(23)12-5-4-11(16)8-17-12/h3-8H,1-2H3,(H,18,23)
InChIKeyPLDRRBWDDVPVGU-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.58
Rot. Bonds3

About 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide

5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 71973119) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID71973119
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cn2)nn1
InChIInChI=1S/C15H13ClN6O/c1-9-3-6-13(20-19-9)22-14(7-10(2)21-22)18-15(23)12-5-4-11(16)8-17-12/h3-8H,1-2H3,(H,18,23)
InChIKeyPLDRRBWDDVPVGU-UHFFFAOYSA-N
XLogP2.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide (CID 71973119) is 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cn2)nn1.
What is the InChIKey of 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is PLDRRBWDDVPVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c1-9-3-6-13(20-19-9)22-14(7-10(2)21-22)18-15(23)12-5-4-11(16)8-17-12/h3-8H,1-2H3,(H,18,23).
What are the key properties of 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide?
5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71973119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).