3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide

C29H31N3O4 — CID 46295877

IUPAC3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C29H31N3O4/c1-4-36-24-13-10-21(11-14-24)19-30-28(33)17-12-22-20-32(23-8-6-5-7-9-23)31-29(22)26-18-25(34-2)15-16-27(26)35-3/h5-11,13-16,18,20H,4,12,17,19H2,1-3H3,(H,30,33)
InChIKeyYCPHQRRRDROPLN-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.20
Rot. Bonds11

About 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide

3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide (PubChem CID 46295877) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
PubChem CID46295877
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C29H31N3O4/c1-4-36-24-13-10-21(11-14-24)19-30-28(33)17-12-22-20-32(23-8-6-5-7-9-23)31-29(22)26-18-25(34-2)15-16-27(26)35-3/h5-11,13-16,18,20H,4,12,17,19H2,1-3H3,(H,30,33)
InChIKeyYCPHQRRRDROPLN-UHFFFAOYSA-N
XLogP5.20
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295856
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-[1-(3-fluorophenyl)-3-(3-methoxyphenyl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46295934
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 55753924
3-(2,5-dimethoxyphenyl)-1-phenyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797907
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 86906413
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide (CID 46295877) is 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide?
The InChIKey is YCPHQRRRDROPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-4-36-24-13-10-21(11-14-24)19-30-28(33)17-12-22-20-32(23-8-6-5-7-9-23)31-29(22)26-18-25(34-2)15-16-27(26)35-3/h5-11,13-16,18,20H,4,12,17,19H2,1-3H3,(H,30,33).
What are the key properties of 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide?
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide has a molecular weight of 485.58 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46295877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).