(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H20N4O3 — CID 81205766

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCOC(CO)C2)c1N
InChIInChI=1S/C12H20N4O3/c1-3-9-10(13)11(15(2)14-9)12(18)16-4-5-19-8(6-16)7-17/h8,17H,3-7,13H2,1-2H3
InChIKeyKTHMIZVDADIPON-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.60
Rot. Bonds3

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81205766) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81205766
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2CCOC(CO)C2)c1N
InChIInChI=1S/C12H20N4O3/c1-3-9-10(13)11(15(2)14-9)12(18)16-4-5-19-8(6-16)7-17/h8,17H,3-7,13H2,1-2H3
InChIKeyKTHMIZVDADIPON-UHFFFAOYSA-N
XLogP-0.60
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81205766) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is CCc1nn(C)c(C(=O)N2CCOC(CO)C2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is KTHMIZVDADIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-9-10(13)11(15(2)14-9)12(18)16-4-5-19-8(6-16)7-17/h8,17H,3-7,13H2,1-2H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81205766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).