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

C11H18N4O2 — CID 55033901

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCOC(C)C2)c1N
InChIInChI=1S/C11H18N4O2/c1-3-8-9(12)10(14-13-8)11(16)15-4-5-17-7(2)6-15/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyVSCDAYDYGGGYCH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds2

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

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 55033901) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID55033901
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCOC(C)C2)c1N
InChIInChI=1S/C11H18N4O2/c1-3-8-9(12)10(14-13-8)11(16)15-4-5-17-7(2)6-15/h7H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyVSCDAYDYGGGYCH-UHFFFAOYSA-N
XLogP0.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931530
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
CID 66124511
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone (CID 55033901) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone is CCc1[nH]nc(C(=O)N2CCOC(C)C2)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is VSCDAYDYGGGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8-9(12)10(14-13-8)11(16)15-4-5-17-7(2)6-15/h7H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 55033901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).