3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide

C27H26N4O4 — CID 91600312

IUPAC3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)N(Cn3cccn3)c3ccccc3)c2)cc1OC
InChIInChI=1S/C27H26N4O4/c1-34-24-13-12-21(17-25(24)35-2)26(32)28-18-20-8-6-9-22(16-20)27(33)31(19-30-15-7-14-29-30)23-10-4-3-5-11-23/h3-17H,18-19H2,1-2H3,(H,28,32)
InChIKeyUEGUIUKQECMJEJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.13
Rot. Bonds9

About 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide

3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide (PubChem CID 91600312) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide
PubChem CID91600312
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)N(Cn3cccn3)c3ccccc3)c2)cc1OC
InChIInChI=1S/C27H26N4O4/c1-34-24-13-12-21(17-25(24)35-2)26(32)28-18-20-8-6-9-22(16-20)27(33)31(19-30-15-7-14-29-30)23-10-4-3-5-11-23/h3-17H,18-19H2,1-2H3,(H,28,32)
InChIKeyUEGUIUKQECMJEJ-UHFFFAOYSA-N
XLogP4.13
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[[3-[2-aminoethyl(1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 91075644
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide (CID 91600312) is 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C(=O)N(Cn3cccn3)c3ccccc3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is UEGUIUKQECMJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-34-24-13-12-21(17-25(24)35-2)26(32)28-18-20-8-6-9-22(16-20)27(33)31(19-30-15-7-14-29-30)23-10-4-3-5-11-23/h3-17H,18-19H2,1-2H3,(H,28,32).
What are the key properties of 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 91600312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).