1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

C24H28N4O3 — CID 31909068

IUPAC1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-22-9-7-20(8-10-22)23(27-11-13-31-14-12-27)16-25-24(29)21-15-26-28(18-21)17-19-5-3-2-4-6-19/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyREPDBVMIDALVKM-HSZRJFAPSA-N
MW420.51 g/mol
LogP2.74
Rot. Bonds8

About 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (PubChem CID 31909068) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
PubChem CID31909068
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-22-9-7-20(8-10-22)23(27-11-13-31-14-12-27)16-25-24(29)21-15-26-28(18-21)17-19-5-3-2-4-6-19/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyREPDBVMIDALVKM-HSZRJFAPSA-N
XLogP2.74
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 43045112
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124732897
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 31429586
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 31429584
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (CID 31909068) is 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is COc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)N2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The InChIKey is REPDBVMIDALVKM-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-22-9-7-20(8-10-22)23(27-11-13-31-14-12-27)16-25-24(29)21-15-26-28(18-21)17-19-5-3-2-4-6-19/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,25,29)/t23-/m1/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31909068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).