5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide

C19H26N6O — CID 126918860

IUPAC5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(C(C)(C)C)[nH]n1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-9-15(21-22-16)18(26)24(4)13-10-25(11-13)17-8-12-6-5-7-14(12)20-23-17/h8-9,13H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyAEUPUGRRRIHKEH-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.95
Rot. Bonds3

About 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 126918860) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID126918860
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(C(C)(C)C)[nH]n1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-9-15(21-22-16)18(26)24(4)13-10-25(11-13)17-8-12-6-5-7-14(12)20-23-17/h8-9,13H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKeyAEUPUGRRRIHKEH-UHFFFAOYSA-N
XLogP1.95
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide (CID 126918860) is 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide is CN(C(=O)c1cc(C(C)(C)C)[nH]n1)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is AEUPUGRRRIHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2,3)16-9-15(21-22-16)18(26)24(4)13-10-25(11-13)17-8-12-6-5-7-14(12)20-23-17/h8-9,13H,5-7,10-11H2,1-4H3,(H,21,22).
What are the key properties of 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126918860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).