2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone

C10H16N4O2 — CID 62101718

IUPAC2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2ccc(N)n2)CCO1
InChIInChI=1S/C10H16N4O2/c1-8-6-13(4-5-16-8)10(15)7-14-3-2-9(11)12-14/h2-3,8H,4-7H2,1H3,(H2,11,12)
InChIKeyMXFARMWPPWRDCH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.29
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone

2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 62101718) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID62101718
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2ccc(N)n2)CCO1
InChIInChI=1S/C10H16N4O2/c1-8-6-13(4-5-16-8)10(15)7-14-3-2-9(11)12-14/h2-3,8H,4-7H2,1H3,(H2,11,12)
InChIKeyMXFARMWPPWRDCH-UHFFFAOYSA-N
XLogP-0.29
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone (CID 62101718) is 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cn2ccc(N)n2)CCO1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is MXFARMWPPWRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-6-13(4-5-16-8)10(15)7-14-3-2-9(11)12-14/h2-3,8H,4-7H2,1H3,(H2,11,12).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62101718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).