N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide

C25H26Cl2N4O2 — CID 42732528

IUPACN-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)C1CC1
InChIInChI=1S/C25H26Cl2N4O2/c1-16(2)14-30(25(33)18-8-9-18)15-24(32)28-23-13-22(17-6-4-3-5-7-17)29-31(23)19-10-11-20(26)21(27)12-19/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3,(H,28,32)
InChIKeyAHZPVCOUKNBROZ-UHFFFAOYSA-N
MW485.42 g/mol
LogP5.68
Rot. Bonds8

About N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide

N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide (PubChem CID 42732528) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
PubChem CID42732528
Molecular FormulaC25H26Cl2N4O2
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC NameN-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)C1CC1
InChIInChI=1S/C25H26Cl2N4O2/c1-16(2)14-30(25(33)18-8-9-18)15-24(32)28-23-13-22(17-6-4-3-5-7-17)29-31(23)19-10-11-20(26)21(27)12-19/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3,(H,28,32)
InChIKeyAHZPVCOUKNBROZ-UHFFFAOYSA-N
XLogP5.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4688923
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 3994195
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3992046
trans-(1R,2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 1052040
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 3653466
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 42740892

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide (CID 42732528) is N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide is CC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)C1CC1.
What is the InChIKey of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The InChIKey is AHZPVCOUKNBROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2/c1-16(2)14-30(25(33)18-8-9-18)15-24(32)28-23-13-22(17-6-4-3-5-7-17)29-31(23)19-10-11-20(26)21(27)12-19/h3-7,10-13,16,18H,8-9,14-15H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide has a molecular weight of 485.42 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 42732528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).