2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide

C24H20ClFN4O — CID 18673998

IUPAC2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H20ClFN4O/c1-2-30-24(28-21(31)15-18-5-3-4-6-20(18)25)22(16-11-13-27-14-12-16)23(29-30)17-7-9-19(26)10-8-17/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyHAEBOYSJCLDCDM-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.61
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18673998) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18673998
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC Name2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H20ClFN4O/c1-2-30-24(28-21(31)15-18-5-3-4-6-20(18)25)22(16-11-13-27-14-12-16)23(29-30)17-7-9-19(26)10-8-17/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyHAEBOYSJCLDCDM-UHFFFAOYSA-N
XLogP5.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18673998) is 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is HAEBOYSJCLDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-2-30-24(28-21(31)15-18-5-3-4-6-20(18)25)22(16-11-13-27-14-12-16)23(29-30)17-7-9-19(26)10-8-17/h3-14H,2,15H2,1H3,(H,28,31).
What are the key properties of 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 434.90 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18673998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).