(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide

C12H20N4O2 — CID 95805150

IUPAC(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@H]2CNCCO2)c1C
InChIInChI=1S/C12H20N4O2/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10/h10,13H,4-7H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyFAQDNUDMGXXUJZ-SNVBAGLBSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds3

About (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide (PubChem CID 95805150) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
PubChem CID95805150
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@H]2CNCCO2)c1C
InChIInChI=1S/C12H20N4O2/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10/h10,13H,4-7H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyFAQDNUDMGXXUJZ-SNVBAGLBSA-N
XLogP0.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
CID 71298534
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 79402107
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 154894688
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine-2-carboxamide
CID 119828563

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide (CID 95805150) is (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide is CCn1nc(C)c(NC(=O)[C@H]2CNCCO2)c1C.
What is the InChIKey of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide?
The InChIKey is FAQDNUDMGXXUJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10/h10,13H,4-7H2,1-3H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide?
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95805150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).