(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone

C12H19N3O3 — CID 16925364

IUPAC(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-9-10(11(13-15)18-4-2)12(16)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeySZOPFXMBSRJMCV-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.77
Rot. Bonds4

About (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone

(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 16925364) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone
PubChem CID16925364
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-9-10(11(13-15)18-4-2)12(16)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeySZOPFXMBSRJMCV-UHFFFAOYSA-N
XLogP0.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
CID 71789500
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925244

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone (CID 16925364) is (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone is CCOc1nn(CC)cc1C(=O)N1CCOCC1.
What is the InChIKey of (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is SZOPFXMBSRJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15-9-10(11(13-15)18-4-2)12(16)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3.
What are the key properties of (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone?
(3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 253.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-ethylpyrazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 16925364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).