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

C11H10ClN3O — CID 57180087

IUPACN-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-8(16)13-11-6-7-15(14-11)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyQHXGTJHNCPKHGB-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.48
Rot. Bonds2

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

N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide (PubChem CID 57180087) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide
PubChem CID57180087
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-8(16)13-11-6-7-15(14-11)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyQHXGTJHNCPKHGB-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide (CID 57180087) is N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is QHXGTJHNCPKHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8(16)13-11-6-7-15(14-11)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16).
What are the key properties of N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide?
N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 235.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 57180087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).