N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide

C12H11Cl2N3O2 — CID 122145027

IUPACN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19)
InChIKeyKREYJFRZGUWPNT-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide

N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide (PubChem CID 122145027) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
PubChem CID122145027
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19)
InChIKeyKREYJFRZGUWPNT-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide (CID 122145027) is N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide is CC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The InChIKey is KREYJFRZGUWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide has a molecular weight of 300.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide is sourced from PubChem (CID 122145027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).