N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C18H26N6O — CID 126917753

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12-8-14(23(5)22-12)17(25)19-9-13-10-24(11-13)16-7-6-15(20-21-16)18(2,3)4/h6-8,13H,9-11H2,1-5H3,(H,19,25)
InChIKeyMYHKJSGXGVZAKJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.68
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 126917753) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID126917753
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12-8-14(23(5)22-12)17(25)19-9-13-10-24(11-13)16-7-6-15(20-21-16)18(2,3)4/h6-8,13H,9-11H2,1-5H3,(H,19,25)
InChIKeyMYHKJSGXGVZAKJ-UHFFFAOYSA-N
XLogP1.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 126917778
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
CID 126917727
5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126916679
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106128834
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843
1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
CID 126916675
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126917734
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 126917981

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 126917753) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n(C)n1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MYHKJSGXGVZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-8-14(23(5)22-12)17(25)19-9-13-10-24(11-13)16-7-6-15(20-21-16)18(2,3)4/h6-8,13H,9-11H2,1-5H3,(H,19,25).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).