(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C12H20N4O3 — CID 102931530

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CC(C)OC(CO)C2)c1N
InChIInChI=1S/C12H20N4O3/c1-3-9-10(13)11(15-14-9)12(18)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyZTWRBDVVHFHJFS-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.22
Rot. Bonds3

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102931530) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102931530
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CC(C)OC(CO)C2)c1N
InChIInChI=1S/C12H20N4O3/c1-3-9-10(13)11(15-14-9)12(18)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyZTWRBDVVHFHJFS-UHFFFAOYSA-N
XLogP-0.22
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
(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)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(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-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62075873
(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)-(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
(2-amino-6-chloro-4-pyridinyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936186

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102931530) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CCc1[nH]nc(C(=O)N2CC(C)OC(CO)C2)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is ZTWRBDVVHFHJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-9-10(13)11(15-14-9)12(18)16-4-7(2)19-8(5-16)6-17/h7-8,17H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102931530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).