(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide

C18H24N4O2 — CID 95775991

IUPAC(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-2-15-10-16(21-20-15)11-19-18(23)17-13-22(8-9-24-17)12-14-6-4-3-5-7-14/h3-7,10,17H,2,8-9,11-13H2,1H3,(H,19,23)(H,20,21)/t17-/m0/s1
InChIKeyGHJITDGKBRMOMK-KRWDZBQOSA-N
MW328.42 g/mol
LogP1.49
Rot. Bonds6

About (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide

(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide (PubChem CID 95775991) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
PubChem CID95775991
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-2-15-10-16(21-20-15)11-19-18(23)17-13-22(8-9-24-17)12-14-6-4-3-5-7-14/h3-7,10,17H,2,8-9,11-13H2,1H3,(H,19,23)(H,20,21)/t17-/m0/s1
InChIKeyGHJITDGKBRMOMK-KRWDZBQOSA-N
XLogP1.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
1-benzoyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 71998614
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
CID 97259995
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide (CID 95775991) is (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide is CCc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1.
What is the InChIKey of (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide?
The InChIKey is GHJITDGKBRMOMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-15-10-16(21-20-15)11-19-18(23)17-13-22(8-9-24-17)12-14-6-4-3-5-7-14/h3-7,10,17H,2,8-9,11-13H2,1H3,(H,19,23)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95775991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).