1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide

C19H28N6O2 — CID 126931038

IUPAC1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)nn1C
InChIInChI=1S/C19H28N6O2/c1-13(2)25-18(26)9-8-17(22-25)24-10-6-5-7-15(24)12-20-19(27)16-11-14(3)23(4)21-16/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,20,27)
InChIKeyPVWNSQQVIWVZGJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.66
Rot. Bonds5

About 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 126931038) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID126931038
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)nn1C
InChIInChI=1S/C19H28N6O2/c1-13(2)25-18(26)9-8-17(22-25)24-10-6-5-7-15(24)12-20-19(27)16-11-14(3)23(4)21-16/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,20,27)
InChIKeyPVWNSQQVIWVZGJ-UHFFFAOYSA-N
XLogP1.66
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]furan-3-carboxamide
CID 126930983
6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 126931012
N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126931000
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126930659
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931157
6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931106
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide (CID 126931038) is 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is PVWNSQQVIWVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-13(2)25-18(26)9-8-17(22-25)24-10-6-5-7-15(24)12-20-19(27)16-11-14(3)23(4)21-16/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,20,27).
What are the key properties of 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126931038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).