1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

C22H26N6O — CID 131927320

IUPAC1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccc(-c4ccccc4)nn3)CC2)nn1C
InChIInChI=1S/C22H26N6O/c1-16-14-20(26-27(16)2)22(29)23-15-17-10-12-28(13-11-17)21-9-8-19(24-25-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyKWRGERQDUZULBV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.83
Rot. Bonds5

About 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 131927320) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID131927320
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccc(-c4ccccc4)nn3)CC2)nn1C
InChIInChI=1S/C22H26N6O/c1-16-14-20(26-27(16)2)22(29)23-15-17-10-12-28(13-11-17)21-9-8-19(24-25-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyKWRGERQDUZULBV-UHFFFAOYSA-N
XLogP2.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
N-[[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131893057
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
CID 121126886
(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
CID 169284619
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
CID 138055578
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 131927320) is 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCN(c3ccc(-c4ccccc4)nn3)CC2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is KWRGERQDUZULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-14-20(26-27(16)2)22(29)23-15-17-10-12-28(13-11-17)21-9-8-19(24-25-21)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,29).
What are the key properties of 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131927320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).