(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

C13H20N4O — CID 66119791

IUPAC(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(N)(C3CC3)C2)n(C)n1
InChIInChI=1S/C13H20N4O/c1-3-10-6-11(16(2)15-10)12(18)17-7-13(14,8-17)9-4-5-9/h6,9H,3-5,7-8,14H2,1-2H3
InChIKeyYXAYVTHTDWJBQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.55
Rot. Bonds3

About (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 66119791) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID66119791
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(N)(C3CC3)C2)n(C)n1
InChIInChI=1S/C13H20N4O/c1-3-10-6-11(16(2)15-10)12(18)17-7-13(14,8-17)9-4-5-9/h6,9H,3-5,7-8,14H2,1-2H3
InChIKeyYXAYVTHTDWJBQS-UHFFFAOYSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 66119791) is (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CC(N)(C3CC3)C2)n(C)n1.
What is the InChIKey of (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is YXAYVTHTDWJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-10-6-11(16(2)15-10)12(18)17-7-13(14,8-17)9-4-5-9/h6,9H,3-5,7-8,14H2,1-2H3.
What are the key properties of (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 66119791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).