(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide

C15H26N4O3 — CID 125439279

IUPAC(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCn1ncc(CNC(=O)N2CCO[C@@H](CCOC)C2)c1C
InChIInChI=1S/C15H26N4O3/c1-4-19-12(2)13(10-17-19)9-16-15(20)18-6-8-22-14(11-18)5-7-21-3/h10,14H,4-9,11H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeyDDIMRBQHSSWAPD-AWEZNQCLSA-N
MW310.40 g/mol
LogP1.16
Rot. Bonds6

About (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide

(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide (PubChem CID 125439279) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
PubChem CID125439279
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCn1ncc(CNC(=O)N2CCO[C@@H](CCOC)C2)c1C
InChIInChI=1S/C15H26N4O3/c1-4-19-12(2)13(10-17-19)9-16-15(20)18-6-8-22-14(11-18)5-7-21-3/h10,14H,4-9,11H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeyDDIMRBQHSSWAPD-AWEZNQCLSA-N
XLogP1.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 126447140
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
CID 46986778
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide (CID 125439279) is (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide is CCn1ncc(CNC(=O)N2CCO[C@@H](CCOC)C2)c1C.
What is the InChIKey of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The InChIKey is DDIMRBQHSSWAPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-19-12(2)13(10-17-19)9-16-15(20)18-6-8-22-14(11-18)5-7-21-3/h10,14H,4-9,11H2,1-3H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 125439279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).