4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide

C27H24ClFN4O2 — CID 5027234

IUPAC4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClFN4O2/c1-2-16-32(27(35)20-8-10-21(28)11-9-20)18-26(34)30-25-17-24(19-6-4-3-5-7-19)31-33(25)23-14-12-22(29)13-15-23/h3-15,17H,2,16,18H2,1H3,(H,30,34)
InChIKeyQDYSEKBZXDXURC-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.82
Rot. Bonds8

About 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide

4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide (PubChem CID 5027234) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
PubChem CID5027234
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClFN4O2/c1-2-16-32(27(35)20-8-10-21(28)11-9-20)18-26(34)30-25-17-24(19-6-4-3-5-7-19)31-33(25)23-14-12-22(29)13-15-23/h3-15,17H,2,16,18H2,1H3,(H,30,34)
InChIKeyQDYSEKBZXDXURC-UHFFFAOYSA-N
XLogP5.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide (CID 5027234) is 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The InChIKey is QDYSEKBZXDXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-2-16-32(27(35)20-8-10-21(28)11-9-20)18-26(34)30-25-17-24(19-6-4-3-5-7-19)31-33(25)23-14-12-22(29)13-15-23/h3-15,17H,2,16,18H2,1H3,(H,30,34).
What are the key properties of 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 490.97 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 5027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).