N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide

C12H14ClN3O — CID 15580725

IUPACN-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C12H14ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-6,8H,7H2,1-2H3,(H,14,15,17)
InChIKeyXQXNIDFPDHMODM-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.39
Rot. Bonds1

About N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide

N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide (PubChem CID 15580725) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide
PubChem CID15580725
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C12H14ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-6,8H,7H2,1-2H3,(H,14,15,17)
InChIKeyXQXNIDFPDHMODM-UHFFFAOYSA-N
XLogP2.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide (CID 15580725) is N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide is CC(=O)NC1=NN(c2ccc(Cl)cc2)C(C)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide?
The InChIKey is XQXNIDFPDHMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-6,8H,7H2,1-2H3,(H,14,15,17).
What are the key properties of N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide?
N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide has a molecular weight of 251.72 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-methyl-3,4-dihydropyrazol-5-yl]acetamide is sourced from PubChem (CID 15580725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).