(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

C12H20N4O2 — CID 99825094

IUPAC(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCc2ccn[nH]2)CCO1
InChIInChI=1S/C12H20N4O2/c1-3-12(2)9-16(6-7-18-12)11(17)13-8-10-4-5-14-15-10/h4-5H,3,6-9H2,1-2H3,(H,13,17)(H,14,15)/t12-/m1/s1
InChIKeyPPUBSYAYMKRMTQ-GFCCVEGCSA-N
MW252.32 g/mol
LogP1.12
Rot. Bonds3

About (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (PubChem CID 99825094) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
PubChem CID99825094
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCc2ccn[nH]2)CCO1
InChIInChI=1S/C12H20N4O2/c1-3-12(2)9-16(6-7-18-12)11(17)13-8-10-4-5-14-15-10/h4-5H,3,6-9H2,1-2H3,(H,13,17)(H,14,15)/t12-/m1/s1
InChIKeyPPUBSYAYMKRMTQ-GFCCVEGCSA-N
XLogP1.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857591
(2S)-2-ethyl-2-methyl-N-[(4-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857598
(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
CID 99824406
(2S)-2-ethyl-N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 99825070
(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
CID 99790006
N',3,3-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738709
2-ethyl-2-methyl-N-(oxolan-3-ylmethyl)morpholine-4-carboxamide
CID 86818299
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99824844
4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084993
4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084970
4-(1,3-benzodioxol-5-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084994

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (CID 99825094) is (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is CC[C@]1(C)CN(C(=O)NCc2ccn[nH]2)CCO1.
What is the InChIKey of (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The InChIKey is PPUBSYAYMKRMTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-12(2)9-16(6-7-18-12)11(17)13-8-10-4-5-14-15-10/h4-5H,3,6-9H2,1-2H3,(H,13,17)(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 99825094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).