[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane

C16H22N4O — CID 145081662

IUPAC[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane
SMILESCC.Cc1ccc(C(=O)N2CC(n3ccc(N)n3)C2)cc1
InChIInChI=1S/C14H16N4O.C2H6/c1-10-2-4-11(5-3-10)14(19)17-8-12(9-17)18-7-6-13(15)16-18;1-2/h2-7,12H,8-9H2,1H3,(H2,15,16);1-2H3
InChIKeyCZJROELJVQBNNL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.50
Rot. Bonds2

About [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane

[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane (PubChem CID 145081662) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane.

Molecular Properties

Compound Name[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane
PubChem CID145081662
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane
SMILESCC.Cc1ccc(C(=O)N2CC(n3ccc(N)n3)C2)cc1
InChIInChI=1S/C14H16N4O.C2H6/c1-10-2-4-11(5-3-10)14(19)17-8-12(9-17)18-7-6-13(15)16-18;1-2/h2-7,12H,8-9H2,1H3,(H2,15,16);1-2H3
InChIKeyCZJROELJVQBNNL-UHFFFAOYSA-N
XLogP2.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-2-iodoethanone
CID 137499504
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 121153399
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
ethane;formic acid;(3-methylazetidin-1-yl)-(4-methylphenyl)methanone
CID 177155026
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
tert-butyl 3-(4-methylbenzoyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172639821
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane?
The IUPAC name of [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane (CID 145081662) is [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane.
What is the SMILES notation for [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane?
The canonical SMILES for [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane is CC.Cc1ccc(C(=O)N2CC(n3ccc(N)n3)C2)cc1.
What is the InChIKey of [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane?
The InChIKey is CZJROELJVQBNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.C2H6/c1-10-2-4-11(5-3-10)14(19)17-8-12(9-17)18-7-6-13(15)16-18;1-2/h2-7,12H,8-9H2,1H3,(H2,15,16);1-2H3.
What are the key properties of [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane?
[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane has a molecular weight of 286.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane is sourced from PubChem (CID 145081662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).