N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide

C26H23Cl2N5O2 — CID 3994195

IUPACN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)29-19-11-7-4-8-12-19)17-25(34)30-24-16-23(18-9-5-3-6-10-18)31-33(24)20-13-14-21(27)22(28)15-20/h3-16H,2,17H2,1H3,(H,29,35)(H,30,34)
InChIKeyGJLNIYUBVSFWOW-UHFFFAOYSA-N
MW508.41 g/mol
LogP6.34
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide

N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide (PubChem CID 3994195) has the molecular formula C26H23Cl2N5O2 and a molecular weight of 508.41 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
PubChem CID3994195
Molecular FormulaC26H23Cl2N5O2
Molecular Weight508.41 g/mol
Exact Mass507.12
IUPAC NameN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)29-19-11-7-4-8-12-19)17-25(34)30-24-16-23(18-9-5-3-6-10-18)31-33(24)20-13-14-21(27)22(28)15-20/h3-16H,2,17H2,1H3,(H,29,35)(H,30,34)
InChIKeyGJLNIYUBVSFWOW-UHFFFAOYSA-N
XLogP6.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3313857
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648
2-[ethyl-[(3-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060992
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
2-[butyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3376227
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4688923
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42732528
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1062155
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491737
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 3653466
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(3,5-dimethoxyphenyl)carbamoyl-propylamino]acetamide
CID 3334768
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide (CID 3994195) is N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The InChIKey is GJLNIYUBVSFWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)29-19-11-7-4-8-12-19)17-25(34)30-24-16-23(18-9-5-3-6-10-18)31-33(24)20-13-14-21(27)22(28)15-20/h3-16H,2,17H2,1H3,(H,29,35)(H,30,34).
What are the key properties of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide?
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide has a molecular weight of 508.41 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide is sourced from PubChem (CID 3994195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).