2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

C31H36N4O4 — CID 57418856

IUPAC2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C31H36N4O4/c1-21(2)27-20-29(35(33-27)23-10-8-22(3)9-11-23)32-31(37)30(36)26-12-13-28(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20-21,30,36H,14-19H2,1-3H3,(H,32,37)
InChIKeySIEQCLZRTXMYPL-UHFFFAOYSA-N
MW528.65 g/mol
LogP4.84
Rot. Bonds9

About 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (PubChem CID 57418856) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
PubChem CID57418856
Molecular FormulaC31H36N4O4
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC Name2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C31H36N4O4/c1-21(2)27-20-29(35(33-27)23-10-8-22(3)9-11-23)32-31(37)30(36)26-12-13-28(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20-21,30,36H,14-19H2,1-3H3,(H,32,37)
InChIKeySIEQCLZRTXMYPL-UHFFFAOYSA-N
XLogP4.84
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11180295
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
CID 142977964
CID 142977964
N-[3-tert-butyl-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262626
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperazin-1-ylethoxy)naphthalen-1-yl]urea
CID 11731102
N-[3-tert-butyl-4-methyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 173045490
(2Z)-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 87264903
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533
CID 160568395
CID 160568395
N-[[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 58760592
1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 24986961
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide (CID 57418856) is 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
The InChIKey is SIEQCLZRTXMYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-21(2)27-20-29(35(33-27)23-10-8-22(3)9-11-23)32-31(37)30(36)26-12-13-28(25-7-5-4-6-24(25)26)39-19-16-34-14-17-38-18-15-34/h4-13,20-21,30,36H,14-19H2,1-3H3,(H,32,37).
What are the key properties of 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide?
2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide has a molecular weight of 528.65 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide is sourced from PubChem (CID 57418856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).