ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate

C14H15N3O3 — CID 29204718

IUPACethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)10-4-6-12(7-5-10)16-13(18)11-8-15-17(2)9-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyUZJKXGCKVYGFFP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.85
Rot. Bonds4

About ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate

ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 29204718) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
PubChem CID29204718
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)10-4-6-12(7-5-10)16-13(18)11-8-15-17(2)9-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyUZJKXGCKVYGFFP-UHFFFAOYSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43623829
ethyl 4-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]benzoate
CID 1223826
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
ethyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate
CID 4518279
ethyl 4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]benzoate
CID 120917265

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate (CID 29204718) is ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is UZJKXGCKVYGFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-14(19)10-4-6-12(7-5-10)16-13(18)11-8-15-17(2)9-11/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate?
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 29204718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).