N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

C16H20N6O — CID 126918862

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C16H20N6O/c1-20(16(23)14-6-7-17-21(14)2)12-9-22(10-12)15-8-11-4-3-5-13(11)18-19-15/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyJPCMVKRNFGMLSS-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.66
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 126918862) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID126918862
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C16H20N6O/c1-20(16(23)14-6-7-17-21(14)2)12-9-22(10-12)15-8-11-4-3-5-13(11)18-19-15/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyJPCMVKRNFGMLSS-UHFFFAOYSA-N
XLogP0.66
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (CID 126918862) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccnn1C)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is JPCMVKRNFGMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-20(16(23)14-6-7-17-21(14)2)12-9-22(10-12)15-8-11-4-3-5-13(11)18-19-15/h6-8,12H,3-5,9-10H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126918862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).