N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide

C22H23Cl2N3O3 — CID 19395522

IUPACN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cc1OCC
InChIInChI=1S/C22H23Cl2N3O3/c1-3-29-20-9-8-15(10-21(20)30-4-2)11-22(28)26-16-12-25-27(13-16)14-17-18(23)6-5-7-19(17)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,26,28)
InChIKeyBEVAVMHYXFNFFB-UHFFFAOYSA-N
MW448.35 g/mol
LogP5.22
Rot. Bonds9

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide (PubChem CID 19395522) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
PubChem CID19395522
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cc1OCC
InChIInChI=1S/C22H23Cl2N3O3/c1-3-29-20-9-8-15(10-21(20)30-4-2)11-22(28)26-16-12-25-27(13-16)14-17-18(23)6-5-7-19(17)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,26,28)
InChIKeyBEVAVMHYXFNFFB-UHFFFAOYSA-N
XLogP5.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
CID 19410975
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19396593
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
1-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea
CID 19343036
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
CID 19338560
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 39853189
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]thiourea
CID 19344223
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19338558
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(3-methylphenyl)thiourea
CID 19344175

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide (CID 19395522) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cc1OCC.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide?
The InChIKey is BEVAVMHYXFNFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-3-29-20-9-8-15(10-21(20)30-4-2)11-22(28)26-16-12-25-27(13-16)14-17-18(23)6-5-7-19(17)24/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide?
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide has a molecular weight of 448.35 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 19395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).