N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide

C17H14ClN3O — CID 701998

IUPACN-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c1-12(22)19-17-11-16(13-7-9-14(18)10-8-13)20-21(17)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,22)
InChIKeyBPXJCVSPVQXVME-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.15
Rot. Bonds3

About N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide

N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 701998) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID701998
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c1-12(22)19-17-11-16(13-7-9-14(18)10-8-13)20-21(17)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,22)
InChIKeyBPXJCVSPVQXVME-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide (CID 701998) is N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is BPXJCVSPVQXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12(22)19-17-11-16(13-7-9-14(18)10-8-13)20-21(17)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,22).
What are the key properties of N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide?
N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 311.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 701998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).