5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C17H24N6O — CID 126916679

IUPAC5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(N2CC(CNC(=O)c3cc(C(C)(C)C)[nH]n3)C2)nn1
InChIInChI=1S/C17H24N6O/c1-11-5-6-15(22-19-11)23-9-12(10-23)8-18-16(24)13-7-14(21-20-13)17(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,18,24)(H,20,21)
InChIKeySJPTYLILTZMDTJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds4

About 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 126916679) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID126916679
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(N2CC(CNC(=O)c3cc(C(C)(C)C)[nH]n3)C2)nn1
InChIInChI=1S/C17H24N6O/c1-11-5-6-15(22-19-11)23-9-12(10-23)8-18-16(24)13-7-14(21-20-13)17(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,18,24)(H,20,21)
InChIKeySJPTYLILTZMDTJ-UHFFFAOYSA-N
XLogP1.67
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 126916679) is 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(N2CC(CNC(=O)c3cc(C(C)(C)C)[nH]n3)C2)nn1.
What is the InChIKey of 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SJPTYLILTZMDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-5-6-15(22-19-11)23-9-12(10-23)8-18-16(24)13-7-14(21-20-13)17(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,18,24)(H,20,21).
What are the key properties of 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126916679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).