(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide

C20H28N4O3 — CID 95851733

IUPAC(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CN(Cc2cnn(C)c2C)CCO1
InChIInChI=1S/C20H28N4O3/c1-15-17(12-22-23(15)2)13-24-10-11-27-19(14-24)20(25)21-9-8-16-6-4-5-7-18(16)26-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25)/t19-/m0/s1
InChIKeyVTWBZFDMRSHATP-IBGZPJMESA-N
MW372.47 g/mol
LogP1.30
Rot. Bonds7

About (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide

(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide (PubChem CID 95851733) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
PubChem CID95851733
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CN(Cc2cnn(C)c2C)CCO1
InChIInChI=1S/C20H28N4O3/c1-15-17(12-22-23(15)2)13-24-10-11-27-19(14-24)20(25)21-9-8-16-6-4-5-7-18(16)26-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25)/t19-/m0/s1
InChIKeyVTWBZFDMRSHATP-IBGZPJMESA-N
XLogP1.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 92632863
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
3-methoxy-4-[2-[(4-methylmorpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 138029125
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
(3R,4S)-N-[2-(2-methoxyphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919103

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide (CID 95851733) is (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide is COc1ccccc1CCNC(=O)[C@@H]1CN(Cc2cnn(C)c2C)CCO1.
What is the InChIKey of (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is VTWBZFDMRSHATP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-17(12-22-23(15)2)13-24-10-11-27-19(14-24)20(25)21-9-8-16-6-4-5-7-18(16)26-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 95851733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).