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

C26H31ClN4O3 — CID 29223249

IUPAC5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCOCC2)cc1
InChIInChI=1S/C26H31ClN4O3/c1-18-4-6-20(7-5-18)17-31-25(27)24(19(2)29-31)26(32)28-16-23(30-12-14-34-15-13-30)21-8-10-22(33-3)11-9-21/h4-11,23H,12-17H2,1-3H3,(H,28,32)/t23-/m1/s1
InChIKeyFZQMBQGIMDEDKK-HSZRJFAPSA-N
MW483.01 g/mol
LogP4.01
Rot. Bonds8

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

5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 29223249) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID29223249
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCOCC2)cc1
InChIInChI=1S/C26H31ClN4O3/c1-18-4-6-20(7-5-18)17-31-25(27)24(19(2)29-31)26(32)28-16-23(30-12-14-34-15-13-30)21-8-10-22(33-3)11-9-21/h4-11,23H,12-17H2,1-3H3,(H,28,32)/t23-/m1/s1
InChIKeyFZQMBQGIMDEDKK-HSZRJFAPSA-N
XLogP4.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 25441604
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088189
1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088187
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46493583
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37000360
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 29223249) is 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is FZQMBQGIMDEDKK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-18-4-6-20(7-5-18)17-31-25(27)24(19(2)29-31)26(32)28-16-23(30-12-14-34-15-13-30)21-8-10-22(33-3)11-9-21/h4-11,23H,12-17H2,1-3H3,(H,28,32)/t23-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 29223249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).