2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

C18H17ClN4O — CID 110452122

IUPAC2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-9-17(23(22-12)16-4-2-3-14(19)11-16)21-18(24)10-13-5-7-15(20)8-6-13/h2-9,11H,10,20H2,1H3,(H,21,24)
InChIKeyAOPYMWVEPPWCRO-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 110452122) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID110452122
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-9-17(23(22-12)16-4-2-3-14(19)11-16)21-18(24)10-13-5-7-15(20)8-6-13/h2-9,11H,10,20H2,1H3,(H,21,24)
InChIKeyAOPYMWVEPPWCRO-UHFFFAOYSA-N
XLogP3.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 55481155
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 55377351
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 55493282
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 55480909
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52585472
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 110452122) is 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is AOPYMWVEPPWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-9-17(23(22-12)16-4-2-3-14(19)11-16)21-18(24)10-13-5-7-15(20)8-6-13/h2-9,11H,10,20H2,1H3,(H,21,24).
What are the key properties of 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 110452122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).