ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate

C14H17N3O2 — CID 13446792

IUPACethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)nn(C)c1C
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)12-10(2)17(3)16-13(12)15-11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyBXQGGGAPMZWLAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.65
Rot. Bonds4

About ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate

ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate (PubChem CID 13446792) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate
PubChem CID13446792
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)nn(C)c1C
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)12-10(2)17(3)16-13(12)15-11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyBXQGGGAPMZWLAO-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 656964
1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656966
ethyl 5-amino-1-(3-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2864438
ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
CID 692341
ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate
CID 852511
5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 10710291
ethyl (2E)-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]but-2-enoate
CID 788732
5-Anilino-3-methyl-4-pyrazolecarboxylic acid
CID 13446789
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824
2-Ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
CID 44573825
2-Ethoxyethyl 5-amino-1-(4-methylphenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573935

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate (CID 13446792) is ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(Nc2ccccc2)nn(C)c1C.
What is the InChIKey of ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is BXQGGGAPMZWLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-14(18)12-10(2)17(3)16-13(12)15-11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate?
ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 13446792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).