N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C22H24N4O4 — CID 43068731

IUPACN-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(OC)c1
InChIInChI=1S/C22H24N4O4/c1-15(26-11-5-10-23-26)22(28)25-18-7-4-6-17(13-18)24-21(27)12-16-8-9-19(29-2)14-20(16)30-3/h4-11,13-15H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYOSXUSIZTWHSQZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.28
Rot. Bonds8

About N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 43068731) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID43068731
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(OC)c1
InChIInChI=1S/C22H24N4O4/c1-15(26-11-5-10-23-26)22(28)25-18-7-4-6-17(13-18)24-21(27)12-16-8-9-19(29-2)14-20(16)30-3/h4-11,13-15H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYOSXUSIZTWHSQZ-UHFFFAOYSA-N
XLogP3.28
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440829
3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 43068745
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 43068731) is N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is COc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(OC)c1.
What is the InChIKey of N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is YOSXUSIZTWHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15(26-11-5-10-23-26)22(28)25-18-7-4-6-17(13-18)24-21(27)12-16-8-9-19(29-2)14-20(16)30-3/h4-11,13-15H,12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 408.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43068731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).