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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Related Compounds

2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide
CID 15587132
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
N,2-bis(4-chlorophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxamide
CID 5063416
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
methyl (3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 1214823
2-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole-3-carbaldehyde
CID 174315517
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
N-[5-acetyl-2-(4-chlorophenyl)-3-methyl-3H-1,2,4-triazol-4-yl]benzamide
CID 10991927
ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 19908446
2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 143723671
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878

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).