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

C23H19ClFN5O — CID 18674096

IUPAC2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(N)cc1Cl
InChIInChI=1S/C23H19ClFN5O/c1-30-23(28-20(31)12-16-4-7-18(26)13-19(16)24)21(14-8-10-27-11-9-14)22(29-30)15-2-5-17(25)6-3-15/h2-11,13H,12,26H2,1H3,(H,28,31)
InChIKeyFLERWIAZEDWINV-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.70
Rot. Bonds5

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

2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674096) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674096
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC Name2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(N)cc1Cl
InChIInChI=1S/C23H19ClFN5O/c1-30-23(28-20(31)12-16-4-7-18(26)13-19(16)24)21(14-8-10-27-11-9-14)22(29-30)15-2-5-17(25)6-3-15/h2-11,13H,12,26H2,1H3,(H,28,31)
InChIKeyFLERWIAZEDWINV-UHFFFAOYSA-N
XLogP4.70
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674096) is 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is FLERWIAZEDWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c1-30-23(28-20(31)12-16-4-7-18(26)13-19(16)24)21(14-8-10-27-11-9-14)22(29-30)15-2-5-17(25)6-3-15/h2-11,13H,12,26H2,1H3,(H,28,31).
What are the key properties of 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 435.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).