(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide

C13H21N5O4 — CID 124588364

IUPAC(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1
InChIInChI=1S/C13H21N5O4/c1-10-7-16(9-13(2,3)22-10)12(19)14-4-5-17-8-11(6-15-17)18(20)21/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,19)/t10-/m1/s1
InChIKeyVRISXUPQKPCHHJ-SNVBAGLBSA-N
MW311.34 g/mol
LogP1.00
Rot. Bonds4

About (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide

(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide (PubChem CID 124588364) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide
PubChem CID124588364
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1
InChIInChI=1S/C13H21N5O4/c1-10-7-16(9-13(2,3)22-10)12(19)14-4-5-17-8-11(6-15-17)18(20)21/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,19)/t10-/m1/s1
InChIKeyVRISXUPQKPCHHJ-SNVBAGLBSA-N
XLogP1.00
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 53502932
1-[2-(2-Methylpropoxy)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 72116712
1-Morpholin-4-yl-2-(4-nitropyrazol-1-yl)ethanone
CID 687096
1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)ethanone
CID 4273280
2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
CID 75499423
2,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6-(trifluoromethyl)morpholine-4-carboxamide
CID 132328932
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 136581344
2,2,6-trimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-4-carboxamide
CID 138043312
N-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 47200427
N-[1-(2-hydroxyethyl)-3-nitropyrazol-4-yl]-1,4-dimethylpiperazin-1-ium-1-carboxamide
CID 53824153
4-(2-hydroxyethyl)-1-methyl-N-(1-methyl-3-nitropyrazol-4-yl)piperazin-1-ium-1-carboxamide
CID 54447719
4-methyl-N-(1-methyl-3-nitropyrazol-4-yl)morpholin-4-ium-4-carboxamide
CID 54523747

Frequently Asked Questions

What is the IUPAC name of (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide (CID 124588364) is (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1.
What is the InChIKey of (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is VRISXUPQKPCHHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-10-7-16(9-13(2,3)22-10)12(19)14-4-5-17-8-11(6-15-17)18(20)21/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,19)/t10-/m1/s1.
What are the key properties of (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide?
(6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2,6-trimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 124588364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).