N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C24H28N4O3 — CID 37167600

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-3-5-18(6-4-17)21-15-22(27-26-21)24(29)25-16-23(28-11-13-31-14-12-28)19-7-9-20(30-2)10-8-19/h3-10,15,23H,11-14,16H2,1-2H3,(H,25,29)(H,26,27)/t23-/m1/s1
InChIKeyZMMKTZHTUWHPIZ-HSZRJFAPSA-N
MW420.51 g/mol
LogP3.20
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 37167600) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID37167600
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-3-5-18(6-4-17)21-15-22(27-26-21)24(29)25-16-23(28-11-13-31-14-12-28)19-7-9-20(30-2)10-8-19/h3-10,15,23H,11-14,16H2,1-2H3,(H,25,29)(H,26,27)/t23-/m1/s1
InChIKeyZMMKTZHTUWHPIZ-HSZRJFAPSA-N
XLogP3.20
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
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
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide
CID 55470975
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051896

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 37167600) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZMMKTZHTUWHPIZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-3-5-18(6-4-17)21-15-22(27-26-21)24(29)25-16-23(28-11-13-31-14-12-28)19-7-9-20(30-2)10-8-19/h3-10,15,23H,11-14,16H2,1-2H3,(H,25,29)(H,26,27)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 37167600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).