N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide

C27H25FN4O2 — CID 42732051

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H25FN4O2/c1-2-17-31(27(34)21-13-15-22(28)16-14-21)19-26(33)29-25-18-24(20-9-5-3-6-10-20)30-32(25)23-11-7-4-8-12-23/h3-16,18H,2,17,19H2,1H3,(H,29,33)
InChIKeyXSUJULZWVIEALO-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.17
Rot. Bonds8

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide (PubChem CID 42732051) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
PubChem CID42732051
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H25FN4O2/c1-2-17-31(27(34)21-13-15-22(28)16-14-21)19-26(33)29-25-18-24(20-9-5-3-6-10-20)30-32(25)23-11-7-4-8-12-23/h3-16,18H,2,17,19H2,1H3,(H,29,33)
InChIKeyXSUJULZWVIEALO-UHFFFAOYSA-N
XLogP5.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propylbenzamide
CID 3425130
N-butyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 4265877
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 1062345
4-tert-butyl-N-[2-[[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5091780
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 4587555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide (CID 42732051) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide?
The InChIKey is XSUJULZWVIEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-2-17-31(27(34)21-13-15-22(28)16-14-21)19-26(33)29-25-18-24(20-9-5-3-6-10-20)30-32(25)23-11-7-4-8-12-23/h3-16,18H,2,17,19H2,1H3,(H,29,33).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide has a molecular weight of 456.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 42732051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).