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

C15H19N5O2 — CID 90538881

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)C3CC3)n2)n1
InChIInChI=1S/C15H19N5O2/c1-10-9-11(2)20(17-10)13-5-6-14(21)19(18-13)8-7-16-15(22)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,22)
InChIKeyFKILILRPSWKZDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.57
Rot. Bonds5

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

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 90538881) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID90538881
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)C3CC3)n2)n1
InChIInChI=1S/C15H19N5O2/c1-10-9-11(2)20(17-10)13-5-6-14(21)19(18-13)8-7-16-15(22)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,22)
InChIKeyFKILILRPSWKZDQ-UHFFFAOYSA-N
XLogP0.57
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119104
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90539030
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 90538991
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide
CID 90539115
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 90538978
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 71960670
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 100906109
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 90539225
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide (CID 90538881) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)C3CC3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is FKILILRPSWKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-9-11(2)20(17-10)13-5-6-14(21)19(18-13)8-7-16-15(22)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,22).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]cyclopropanecarboxamide is sourced from PubChem (CID 90538881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).