N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide

C26H22ClF2N5O2 — CID 1062118

IUPACN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C26H22ClF2N5O2/c1-2-33(26(36)30-22-13-10-19(28)14-21(22)29)16-25(35)31-24-15-23(17-6-4-3-5-7-17)32-34(24)20-11-8-18(27)9-12-20/h3-15H,2,16H2,1H3,(H,30,36)(H,31,35)
InChIKeyXQWONZCUUMNZMI-UHFFFAOYSA-N
MW509.94 g/mol
LogP5.96
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide (PubChem CID 1062118) has the molecular formula C26H22ClF2N5O2 and a molecular weight of 509.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
PubChem CID1062118
Molecular FormulaC26H22ClF2N5O2
Molecular Weight509.94 g/mol
Exact Mass509.14
IUPAC NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C26H22ClF2N5O2/c1-2-33(26(36)30-22-13-10-19(28)14-21(22)29)16-25(35)31-24-15-23(17-6-4-3-5-7-17)32-34(24)20-11-8-18(27)9-12-20/h3-15H,2,16H2,1H3,(H,30,36)(H,31,35)
InChIKeyXQWONZCUUMNZMI-UHFFFAOYSA-N
XLogP5.96
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.94
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide (CID 1062118) is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The InChIKey is XQWONZCUUMNZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N5O2/c1-2-33(26(36)30-22-13-10-19(28)14-21(22)29)16-25(35)31-24-15-23(17-6-4-3-5-7-17)32-34(24)20-11-8-18(27)9-12-20/h3-15H,2,16H2,1H3,(H,30,36)(H,31,35).
What are the key properties of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide has a molecular weight of 509.94 g/mol, XLogP of 5.96, 7 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-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide is sourced from PubChem (CID 1062118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).