N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H19N7O3 — CID 71790839

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)n2)n1
InChIInChI=1S/C17H19N7O3/c1-11-10-12(2)24(19-11)14-5-7-16(26)23(21-14)9-8-18-17(27)13-4-6-15(25)22(3)20-13/h4-7,10H,8-9H2,1-3H3,(H,18,27)
InChIKeyQHNRIIJOAHNKQX-UHFFFAOYSA-N
MW369.39 g/mol
LogP-0.43
Rot. Bonds5

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 71790839) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID71790839
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)n2)n1
InChIInChI=1S/C17H19N7O3/c1-11-10-12(2)24(19-11)14-5-7-16(26)23(21-14)9-8-18-17(27)13-4-6-15(25)22(3)20-13/h4-7,10H,8-9H2,1-3H3,(H,18,27)
InChIKeyQHNRIIJOAHNKQX-UHFFFAOYSA-N
XLogP-0.43
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 71790839) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QHNRIIJOAHNKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-11-10-12(2)24(19-11)14-5-7-16(26)23(21-14)9-8-18-17(27)13-4-6-15(25)22(3)20-13/h4-7,10H,8-9H2,1-3H3,(H,18,27).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71790839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).