N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide

C23H26ClN5O2 — CID 42732017

IUPACN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)NCC
InChIInChI=1S/C23H26ClN5O2/c1-3-14-28(23(31)25-4-2)16-22(30)26-21-15-20(17-8-6-5-7-9-17)27-29(21)19-12-10-18(24)11-13-19/h5-13,15H,3-4,14,16H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyIEJYISXHPLAOEL-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.57
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide (PubChem CID 42732017) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
PubChem CID42732017
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)NCC
InChIInChI=1S/C23H26ClN5O2/c1-3-14-28(23(31)25-4-2)16-22(30)26-21-15-20(17-8-6-5-7-9-17)27-29(21)19-12-10-18(24)11-13-19/h5-13,15H,3-4,14,16H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyIEJYISXHPLAOEL-UHFFFAOYSA-N
XLogP4.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
4-tert-butyl-N-[2-[[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5091780
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 4587555
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(3,5-dimethoxyphenyl)carbamoyl-propylamino]acetamide
CID 3334768
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 5140231
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1062155
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide (CID 42732017) is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)NCC.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide?
The InChIKey is IEJYISXHPLAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-3-14-28(23(31)25-4-2)16-22(30)26-21-15-20(17-8-6-5-7-9-17)27-29(21)19-12-10-18(24)11-13-19/h5-13,15H,3-4,14,16H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide?
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide has a molecular weight of 439.95 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide is sourced from PubChem (CID 42732017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).