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

C15H14ClN5O — CID 141484721

IUPAC2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C15H14ClN5O/c1-20-9-13(8-17-20)18-15(22)10-21-6-5-14(19-21)11-3-2-4-12(16)7-11/h2-9H,10H2,1H3,(H,18,22)
InChIKeySRNASEJQOUXIEL-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.58
Rot. Bonds4

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

2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 141484721) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID141484721
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C15H14ClN5O/c1-20-9-13(8-17-20)18-15(22)10-21-6-5-14(19-21)11-3-2-4-12(16)7-11/h2-9H,10H2,1H3,(H,18,22)
InChIKeySRNASEJQOUXIEL-UHFFFAOYSA-N
XLogP2.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.58
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-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 141484721) is 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)Cn2ccc(-c3cccc(Cl)c3)n2)cn1.
What is the InChIKey of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is SRNASEJQOUXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-20-9-13(8-17-20)18-15(22)10-21-6-5-14(19-21)11-3-2-4-12(16)7-11/h2-9H,10H2,1H3,(H,18,22).
What are the key properties of 2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide?
2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 315.76 g/mol, XLogP of 2.58, 4 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-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 141484721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).