N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide

C12H13ClN4O — CID 54909628

IUPACN-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-8-2-3-10(14)4-11(8)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyHFLFGOMDECVVRG-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.07
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 54909628) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID54909628
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-8-2-3-10(14)4-11(8)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyHFLFGOMDECVVRG-UHFFFAOYSA-N
XLogP2.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide (CID 54909628) is N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)Cn1cc(Cl)cn1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is HFLFGOMDECVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-2-3-10(14)4-11(8)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7,14H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 264.72 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 54909628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).