N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide

C13H20N4O3 — CID 110253416

IUPACN,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(C(=O)c2ccn(C)n2)CCO1
InChIInChI=1S/C13H20N4O3/c1-13(12(19)15(2)3)9-17(7-8-20-13)11(18)10-5-6-16(4)14-10/h5-6H,7-9H2,1-4H3
InChIKeyIBBHUAWWMPEQSJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.26
Rot. Bonds2

About N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide

N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide (PubChem CID 110253416) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
PubChem CID110253416
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(C(=O)c2ccn(C)n2)CCO1
InChIInChI=1S/C13H20N4O3/c1-13(12(19)15(2)3)9-17(7-8-20-13)11(18)10-5-6-16(4)14-10/h5-6H,7-9H2,1-4H3
InChIKeyIBBHUAWWMPEQSJ-UHFFFAOYSA-N
XLogP-0.26
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
(2R)-4-(6-imidazol-1-ylpyridine-3-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 124939923
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(2R)-4-(1,5-dimethylindole-2-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632573
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97397134
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide (CID 110253416) is N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide is CN(C)C(=O)C1(C)CN(C(=O)c2ccn(C)n2)CCO1.
What is the InChIKey of N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The InChIKey is IBBHUAWWMPEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(12(19)15(2)3)9-17(7-8-20-13)11(18)10-5-6-16(4)14-10/h5-6H,7-9H2,1-4H3.
What are the key properties of N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).