(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide

C14H24N4O2 — CID 125177439

IUPAC(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
SMILESCc1nn(CCCNC(=O)[C@H]2CNCCO2)c(C)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)17-18(12(10)3)7-4-5-16-14(19)13-9-15-6-8-20-13/h13,15H,4-9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyPCOZAOYQRLHBEL-CYBMUJFWSA-N
MW280.37 g/mol
LogP0.30
Rot. Bonds5

About (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide

(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide (PubChem CID 125177439) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
PubChem CID125177439
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
SMILESCc1nn(CCCNC(=O)[C@H]2CNCCO2)c(C)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)17-18(12(10)3)7-4-5-16-14(19)13-9-15-6-8-20-13/h13,15H,4-9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyPCOZAOYQRLHBEL-CYBMUJFWSA-N
XLogP0.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35284693
N-octylmorpholine-2-carboxamide
CID 115567943
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
CID 71298534
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 155971486
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide (CID 125177439) is (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide is Cc1nn(CCCNC(=O)[C@H]2CNCCO2)c(C)c1C.
What is the InChIKey of (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide?
The InChIKey is PCOZAOYQRLHBEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-11(2)17-18(12(10)3)7-4-5-16-14(19)13-9-15-6-8-20-13/h13,15H,4-9H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide?
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 125177439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).