5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one

C13H20N4O — CID 103570764

IUPAC5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc(C2C(N)CCC(=O)N2C2CC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-16-8-9(7-15-16)13-11(14)5-6-12(18)17(13)10-3-4-10/h7-8,10-11,13H,2-6,14H2,1H3
InChIKeyDFCNSJCAFMDFQU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds3

About 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one

5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one (PubChem CID 103570764) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
PubChem CID103570764
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc(C2C(N)CCC(=O)N2C2CC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-16-8-9(7-15-16)13-11(14)5-6-12(18)17(13)10-3-4-10/h7-8,10-11,13H,2-6,14H2,1H3
InChIKeyDFCNSJCAFMDFQU-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
CID 103573255
5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one
CID 112739859
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 103573251
4-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 83261894
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
CID 81415447

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one (CID 103570764) is 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one is CCn1cc(C2C(N)CCC(=O)N2C2CC2)cn1.
What is the InChIKey of 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is DFCNSJCAFMDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-16-8-9(7-15-16)13-11(14)5-6-12(18)17(13)10-3-4-10/h7-8,10-11,13H,2-6,14H2,1H3.
What are the key properties of 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 103570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).