ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate

C14H17N3O2 — CID 135038086

IUPACethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nn2C)cc1
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)11-5-7-12(8-6-11)15-13-9-10(2)16-17(13)3/h5-9,15H,4H2,1-3H3
InChIKeyUDEWXFMTAWLKSQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.65
Rot. Bonds4

About ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate

ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate (PubChem CID 135038086) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate
PubChem CID135038086
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nn2C)cc1
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)11-5-7-12(8-6-11)15-13-9-10(2)16-17(13)3/h5-9,15H,4H2,1-3H3
InChIKeyUDEWXFMTAWLKSQ-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

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
Ethyl 4-[(6-methyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-yl)amino]benzoate
CID 4013085
2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
CID 16276659
Methyl 4-((5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)benzoate
CID 654302
Ethyl 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 661115
4-(5-Amino-3-tert-butyl-pyrazol-1-yl)-benzoic acid
CID 974688
Ethyl 4-(3-{1,3,4,6-tetramethyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)benzoate
CID 16012630
N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
CID 615796
ethyl 4-({[(1-methyl-1H-pyrazol-3-yl)amino]carbonyl}amino)benzoate
CID 971878
ethyl 4-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)amino]carbonyl}amino)benzoate
CID 972049
ethyl 5-amino-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrazole-4-carboxylate
CID 975290
Ethyl 4-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}benzoate
CID 3242774

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate (CID 135038086) is ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C)nn2C)cc1.
What is the InChIKey of ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate?
The InChIKey is UDEWXFMTAWLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-14(18)11-5-7-12(8-6-11)15-13-9-10(2)16-17(13)3/h5-9,15H,4H2,1-3H3.
What are the key properties of ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate?
ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate 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 4-[(2,5-dimethylpyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 135038086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).