2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate

C14H17N3O2 — CID 2366402

IUPAC2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1nc(C)cc1Nc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-10-14(15-13-6-4-3-5-7-13)17(16-11)8-9-19-12(2)18/h3-7,10,15H,8-9H2,1-2H3
InChIKeyZICCARHBXWTAKX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate

2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate (PubChem CID 2366402) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate
PubChem CID2366402
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1nc(C)cc1Nc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-10-14(15-13-6-4-3-5-7-13)17(16-11)8-9-19-12(2)18/h3-7,10,15H,8-9H2,1-2H3
InChIKeyZICCARHBXWTAKX-UHFFFAOYSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate
CID 4073731
3-(5-Anilino-3-methylpyrazol-1-yl)propanenitrile
CID 2356882
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide
CID 2816322
1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-
CID 2356878
[2-[(5-Tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] butanoate
CID 2090421
Ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate
CID 2103187
2-(5-Anilino-3-methylpyrazol-1-yl)ethanol
CID 2356877
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 2404954
ethyl 3-(5-amino-3-phenyl-1H-pyrazol-1-yl)propanoate
CID 3242017
N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide
CID 51361054
ethyl (2E)-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]but-2-enoate
CID 788732
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine Acetate
CID 66996809

Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate (CID 2366402) is 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate is CC(=O)OCCn1nc(C)cc1Nc1ccccc1.
What is the InChIKey of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate?
The InChIKey is ZICCARHBXWTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-10-14(15-13-6-4-3-5-7-13)17(16-11)8-9-19-12(2)18/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate?
2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate has a molecular weight of 259.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-3-methylpyrazol-1-yl)ethyl acetate is sourced from PubChem (CID 2366402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).