(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone

C12H20N4O2 — CID 66124511

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCOC(C)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-4-9-10(13)11(15(3)14-9)12(17)16-5-6-18-8(2)7-16/h8H,4-7,13H2,1-3H3
InChIKeyPEVGSDRMVBZQTF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.43
Rot. Bonds2

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 66124511) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID66124511
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCOC(C)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-4-9-10(13)11(15(3)14-9)12(17)16-5-6-18-8(2)7-16/h8H,4-7,13H2,1-3H3
InChIKeyPEVGSDRMVBZQTF-UHFFFAOYSA-N
XLogP0.43
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone (CID 66124511) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone is CCc1nn(C)c(C(=O)N2CCOC(C)C2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is PEVGSDRMVBZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-9-10(13)11(15(3)14-9)12(17)16-5-6-18-8(2)7-16/h8H,4-7,13H2,1-3H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 66124511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).