N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide

C13H22N4O2 — CID 95127238

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C13H22N4O2/c1-10-8-17(9-11(2)19-10)7-6-14-13(18)12-4-5-15-16(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,14,18)/t10-,11+
InChIKeyIZKJQOAFBHJYMM-PHIMTYICSA-N
MW266.35 g/mol
LogP0.26
Rot. Bonds4

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 95127238) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID95127238
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C13H22N4O2/c1-10-8-17(9-11(2)19-10)7-6-14-13(18)12-4-5-15-16(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,14,18)/t10-,11+
InChIKeyIZKJQOAFBHJYMM-PHIMTYICSA-N
XLogP0.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrazole-3-carboxamide
CID 45192520
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945694
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 95127238) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide is C[C@@H]1CN(CCNC(=O)c2ccnn2C)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is IZKJQOAFBHJYMM-PHIMTYICSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-8-17(9-11(2)19-10)7-6-14-13(18)12-4-5-15-16(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,14,18)/t10-,11+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95127238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).