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

C27H24ClF2N5O2 — CID 4587555

IUPACN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C27H24ClF2N5O2/c1-2-14-34(27(37)31-23-13-10-20(29)15-22(23)30)17-26(36)32-25-16-24(18-6-4-3-5-7-18)33-35(25)21-11-8-19(28)9-12-21/h3-13,15-16H,2,14,17H2,1H3,(H,31,37)(H,32,36)
InChIKeyTVJVNOSKGSMSPS-UHFFFAOYSA-N
MW523.97 g/mol
LogP6.35
Rot. Bonds8

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

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide (PubChem CID 4587555) has the molecular formula C27H24ClF2N5O2 and a molecular weight of 523.97 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
PubChem CID4587555
Molecular FormulaC27H24ClF2N5O2
Molecular Weight523.97 g/mol
Exact Mass523.16
IUPAC NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C27H24ClF2N5O2/c1-2-14-34(27(37)31-23-13-10-20(29)15-22(23)30)17-26(36)32-25-16-24(18-6-4-3-5-7-18)33-35(25)21-11-8-19(28)9-12-21/h3-13,15-16H,2,14,17H2,1H3,(H,31,37)(H,32,36)
InChIKeyTVJVNOSKGSMSPS-UHFFFAOYSA-N
XLogP6.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.97
LogP ≤ 56.35
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
2-[butyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3376227
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656
2-[(2-fluorophenyl)carbamoyl-pentylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491735
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(3,5-dimethoxyphenyl)carbamoyl-propylamino]acetamide
CID 3334768
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
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-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1062155
4-tert-butyl-N-[2-[[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5091780
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide (CID 4587555) is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide is CCCN(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-propylamino]acetamide?
The InChIKey is TVJVNOSKGSMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF2N5O2/c1-2-14-34(27(37)31-23-13-10-20(29)15-22(23)30)17-26(36)32-25-16-24(18-6-4-3-5-7-18)33-35(25)21-11-8-19(28)9-12-21/h3-13,15-16H,2,14,17H2,1H3,(H,31,37)(H,32,36).
What are the key properties of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide?
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide has a molecular weight of 523.97 g/mol, XLogP of 6.35, 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-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide is sourced from PubChem (CID 4587555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).