N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide

C25H27ClN4O2 — CID 42740892

IUPACN-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
SMILESCC(C)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C25H27ClN4O2/c1-17(2)29(25(32)19-11-8-12-19)16-24(31)27-23-15-21(18-9-4-3-5-10-18)28-30(23)22-14-7-6-13-20(22)26/h3-7,9-10,13-15,17,19H,8,11-12,16H2,1-2H3,(H,27,31)
InChIKeyFNVGEKPCSDHDIZ-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.17
Rot. Bonds7

About N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide

N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide (PubChem CID 42740892) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
PubChem CID42740892
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC NameN-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
SMILESCC(C)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C25H27ClN4O2/c1-17(2)29(25(32)19-11-8-12-19)16-24(31)27-23-15-21(18-9-4-3-5-10-18)28-30(23)22-14-7-6-13-20(22)26/h3-7,9-10,13-15,17,19H,8,11-12,16H2,1-2H3,(H,27,31)
InChIKeyFNVGEKPCSDHDIZ-UHFFFAOYSA-N
XLogP5.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
CID 42740898
3,5-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4648496
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42741285
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42740882
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3300991
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 42740904
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4654805
2,4-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3307948
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 42740918
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42732528

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide?
The IUPAC name of N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide (CID 42740892) is N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide.
What is the SMILES notation for N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide?
The canonical SMILES for N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide is CC(C)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(=O)C1CCC1.
What is the InChIKey of N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide?
The InChIKey is FNVGEKPCSDHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-17(2)29(25(32)19-11-8-12-19)16-24(31)27-23-15-21(18-9-4-3-5-10-18)28-30(23)22-14-7-6-13-20(22)26/h3-7,9-10,13-15,17,19H,8,11-12,16H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide?
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide has a molecular weight of 450.97 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide is sourced from PubChem (CID 42740892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).