N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C25H23N3O3 — CID 35325576

IUPACN-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C25H23N3O3/c1-2-30-24-11-7-6-10-22(24)26-25(29)23-16-17-28(27-23)18-31-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29)
InChIKeySTLIUWQLQVUZTH-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.24
Rot. Bonds8

About N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 35325576) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID35325576
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C25H23N3O3/c1-2-30-24-11-7-6-10-22(24)26-25(29)23-16-17-28(27-23)18-31-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29)
InChIKeySTLIUWQLQVUZTH-UHFFFAOYSA-N
XLogP5.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
CID 19273348
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
propan-2-yl 1-ethyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404561
ethyl 4,5-dimethyl-2-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19273411
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19272389
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273587
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273496
ethyl 4-[2-[3-methyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19273619
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 35325576) is N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is CCOc1ccccc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is STLIUWQLQVUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-30-24-11-7-6-10-22(24)26-25(29)23-16-17-28(27-23)18-31-21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,26,29).
What are the key properties of N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35325576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).