4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide

C25H23N3O3 — CID 166383278

IUPAC4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
SMILESCCOc1ccccc1Oc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-30-22-11-7-8-12-23(22)31-20-15-13-19(14-16-20)25(29)26-21-17-28(2)27-24(21)18-9-5-4-6-10-18/h4-17H,3H2,1-2H3,(H,26,29)
InChIKeyDRTJJWGXZYJUFC-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.53
Rot. Bonds7

About 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide

4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide (PubChem CID 166383278) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
PubChem CID166383278
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
SMILESCCOc1ccccc1Oc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-30-22-11-7-8-12-23(22)31-20-15-13-19(14-16-20)25(29)26-21-17-28(2)27-24(21)18-9-5-4-6-10-18/h4-17H,3H2,1-2H3,(H,26,29)
InChIKeyDRTJJWGXZYJUFC-UHFFFAOYSA-N
XLogP5.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 154843850
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide (CID 166383278) is 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide is CCOc1ccccc1Oc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The InChIKey is DRTJJWGXZYJUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-30-22-11-7-8-12-23(22)31-20-15-13-19(14-16-20)25(29)26-21-17-28(2)27-24(21)18-9-5-4-6-10-18/h4-17H,3H2,1-2H3,(H,26,29).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 166383278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).