N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide

C23H25ClN4O3 — CID 42740898

IUPACN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
SMILESCOCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(C)C
InChIInChI=1S/C23H25ClN4O3/c1-16(2)27(23(30)15-31-3)14-22(29)25-21-13-19(17-9-5-4-6-10-17)26-28(21)20-12-8-7-11-18(20)24/h4-13,16H,14-15H2,1-3H3,(H,25,29)
InChIKeyTZLVEHNGUBYCNR-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.01
Rot. Bonds8

About N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide (PubChem CID 42740898) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
PubChem CID42740898
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
SMILESCOCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(C)C
InChIInChI=1S/C23H25ClN4O3/c1-16(2)27(23(30)15-31-3)14-22(29)25-21-13-19(17-9-5-4-6-10-17)26-28(21)20-12-8-7-11-18(20)24/h4-13,16H,14-15H2,1-3H3,(H,25,29)
InChIKeyTZLVEHNGUBYCNR-UHFFFAOYSA-N
XLogP4.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4648496
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 42740892
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]-N-propan-2-ylthiophene-2-carboxamide
CID 42740882
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 42740904
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 42740918
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-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 3653466
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 42740852
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42740847

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide (CID 42740898) is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide is COCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(C)C.
What is the InChIKey of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide?
The InChIKey is TZLVEHNGUBYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-16(2)27(23(30)15-31-3)14-22(29)25-21-13-19(17-9-5-4-6-10-17)26-28(21)20-12-8-7-11-18(20)24/h4-13,16H,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide?
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide has a molecular weight of 440.93 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 42740898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).