2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide

C16H16ClN5O — CID 141484728

IUPAC2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C16H16ClN5O/c1-2-21-10-14(9-18-21)19-16(23)11-22-7-6-15(20-22)12-4-3-5-13(17)8-12/h3-10H,2,11H2,1H3,(H,19,23)
InChIKeyVVLBEDOFEBQERK-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.06
Rot. Bonds5

About 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide

2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 141484728) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID141484728
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C16H16ClN5O/c1-2-21-10-14(9-18-21)19-16(23)11-22-7-6-15(20-22)12-4-3-5-13(17)8-12/h3-10H,2,11H2,1H3,(H,19,23)
InChIKeyVVLBEDOFEBQERK-UHFFFAOYSA-N
XLogP3.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide (CID 141484728) is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1.
What is the InChIKey of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is VVLBEDOFEBQERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-2-21-10-14(9-18-21)19-16(23)11-22-7-6-15(20-22)12-4-3-5-13(17)8-12/h3-10H,2,11H2,1H3,(H,19,23).
What are the key properties of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide?
2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 141484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).